MiMeDB: Showing metabocard for Rhodoislandin B (MMDBc0013244)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 04:35:38 UTC

Update Date

2025-10-07 16:06:06 UTC

Metabolite ID

MMDBc0013244

Metabolite Identification

Common Name

Rhodoislandin B

Description

Rhodoislandin B is a secondary metabolite belonging to the class of isoprenoids. There is limited literature available on Rhodoislandin B, and its biological activities and potential applications remain largely unexplored in the scientific community.

Structure

MOL SDF PDB SMILES InChI


  Mrv1533004171506002D          

 40 45  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 16 35  1  0  0  0  0
 21 35  2  0  0  0  0
 15 36  2  0  0  0  0
  9 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
  6 39  1  0  0  0  0
 39 40  2  0  0  0  0
  2 40  1  0  0  0  0
M  END


  Mrv1533004171506002D          

 40 45  0  0  0  0            999 V2000
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1460   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8605   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4315   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7171   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0026   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4875   -2.3174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2881   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  2  0  0  0  0
 24 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 16 35  1  0  0  0  0
 21 35  2  0  0  0  0
 15 36  2  0  0  0  0
  9 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
  6 39  1  0  0  0  0
 39 40  2  0  0  0  0
  2 40  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0013244

> <DATABASE_NAME>
MIME

> <SMILES>
CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C(C4=CC=C(O)C5=C4C(=O)C4=C(O)C(C)=CC(O)=C4C5=O)=C3C(=O)C2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C30H18O10/c1-9-5-12-19(14(32)6-9)28(38)22-17(35)8-16(34)18(24(22)27(12)37)11-3-4-13(31)21-20(11)29(39)25-23(30(21)40)15(33)7-10(2)26(25)36/h3-8,31-36H,1-2H3

> <INCHI_KEY>
XBCBLXVVEFGXEX-UHFFFAOYSA-N

> <FORMULA>
C30H18O10

> <MOLECULAR_WEIGHT>
538.464

> <EXACT_MASS>
538.08999678

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
58

> <JCHEM_AVERAGE_POLARIZABILITY>
53.04809569007677

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,4,5-trihydroxy-7-methyl-1-(4,5,8-trihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-9,10-dihydroanthracene-9,10-dione

> <ALOGPS_LOGP>
3.99

> <JCHEM_LOGP>
7.9668425439999995

> <ALOGPS_LOGS>
-4.08

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.421783654758749

> <JCHEM_PKA_STRONGEST_ACIDIC>
6.581101103896004

> <JCHEM_PKA_STRONGEST_BASIC>
-5.749531942023789

> <JCHEM_POLAR_SURFACE_AREA>
189.65999999999997

> <JCHEM_REFRACTIVITY>
143.34799999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
4.53e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,4,5-trihydroxy-7-methyl-1-(4,5,8-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      10.669  -7.700   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      12.003  -6.930   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337  -7.700   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      13.337  -9.240   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0      16.004  -9.240   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      17.338  -5.390   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      18.672  -4.620   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      14.670  -0.770   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      16.004   0.000   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      16.004   1.540   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      18.672   0.000   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      18.672   1.540   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0      20.005  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      21.339   0.000   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      21.339   1.540   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      22.673  -0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      22.673  -2.310   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      24.006  -3.080   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      21.339  -3.080   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      21.339  -4.620   0.000  0.00  0.00           O+0
HETATM   32  C   UNK     0      20.005  -2.310   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      18.672  -3.080   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      19.577  -4.326   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      17.338  -2.310   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      13.337  -4.620   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      13.337  -3.080   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0      12.003  -5.390   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   40                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   39                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   36                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16   36                                                  
CONECT   16   15   17   35                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   35                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25   32                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   24   33                                                  
CONECT   33   32   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   16   21                                                  
CONECT   36   15    9   37                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37    6   40                                                  
CONECT   40   39    2                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   90    0
END

Synonyms

Not Available

Molecular Formula

C₃₀H₁₈O₁₀

Average Mass

538.464

Monoisotopic Mass

538.08999678

IUPAC Name

2,4,5-trihydroxy-7-methyl-1-(4,5,8-trihydroxy-7-methyl-9,10-dioxo-9,10-dihydroanthracen-1-yl)-9,10-dihydroanthracene-9,10-dione

Traditional Name

2,4,5-trihydroxy-7-methyl-1-(4,5,8-trihydroxy-7-methyl-9,10-dioxoanthracen-1-yl)anthracene-9,10-dione

CAS Registry Number

Not Available

SMILES

CC1=CC(O)=C2C(=O)C3=C(O)C=C(O)C(C4=CC=C(O)C5=C4C(=O)C4=C(O)C(C)=CC(O)=C4C5=O)=C3C(=O)C2=C1

InChI Identifier

InChI=1S/C30H18O10/c1-9-5-12-19(14(32)6-9)28(38)22-17(35)8-16(34)18(24(22)27(12)37)11-3-4-13(31)21-20(11)29(39)25-23(30(21)40)15(33)7-10(2)26(25)36/h3-8,31-36H,1-2H3

InChI Key

XBCBLXVVEFGXEX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as hydroxyanthraquinones. Hydroxyanthraquinones are compounds containing a hydroxyanthraquinone moiety, which consists of an anthracene bearing a quinone, and hydroxyl group.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Hydroxyanthraquinones

Alternative Parents

Substituents

Hydroxyanthraquinone
Biphenol
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Vinylogous acid
Ketone
Polyol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.045 g/L	ALOGPS
logP	3.99	ALOGPS
logP	7.97	ChemAxon
logS	-4.1	ALOGPS
pKa (Strongest Acidic)	6.58	ChemAxon
pKa (Strongest Basic)	-5.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	189.66 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	143.35 m³·mol⁻¹	ChemAxon
Polarizability	53.05 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Chromatographic Retention Times and Retention Indices

Retention Times

Chromatography Type	Technique	Column	Deposition Date	Retention Time (s)
Liquid Chromatography	HILIC	Waters Acquity UPLC-BEH Amide column (void)	2025-10-23	35.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (void)	2025-10-23	28.5
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	536.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	999.4
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	994.6
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	268.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	4069.0
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	84.7
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	361.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	364.8
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	78.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	159.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	159.9
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-23	153.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	394.1
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	326.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	608.4
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	2233.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	1194.5

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Rhodoislandin B_TMS_1	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1635.82
Gas Chromatography	Rhodoislandin B_TMS_2	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2529.54
Gas Chromatography	Rhodoislandin B_TMS_3	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	1388.15
Gas Chromatography	Rhodoislandin B_TMS_4	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1081.64
Gas Chromatography	Rhodoislandin B_TMS_5	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1239.79
Gas Chromatography	Rhodoislandin B_TMS_6	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1627.81
Gas Chromatography	Rhodoislandin B_TMS_7	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2716.96
Gas Chromatography	Rhodoislandin B_TMS_8	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	3000.54
Gas Chromatography	Rhodoislandin B_TMS_9	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1721.3
Gas Chromatography	Rhodoislandin B_TMS_10	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	2032.17
Gas Chromatography	Rhodoislandin B_TMS_11	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	2016.9
Gas Chromatography	Rhodoislandin B_TMS_12	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2513.55
Gas Chromatography	Rhodoislandin B_TMS_13	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2404.81
Gas Chromatography	Rhodoislandin B_TMS_14	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2661.52
Gas Chromatography	Rhodoislandin B_TMS_15	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2127.8
Gas Chromatography	Rhodoislandin B_TMS_16	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	815.139
Gas Chromatography	Rhodoislandin B_TMS_17	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	3640.71
Gas Chromatography	Rhodoislandin B_TMS_18	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	1806.2
Gas Chromatography	Rhodoislandin B_TMS_19	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1745.44
Gas Chromatography	Rhodoislandin B_TMS_20	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1245.82
Gas Chromatography	Rhodoislandin B_TMS_21	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	825.915
Gas Chromatography	Rhodoislandin B_TMS_22	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1087.88
Gas Chromatography	Rhodoislandin B_TMS_23	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1909.95
Gas Chromatography	Rhodoislandin B_TMS_24	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1988.98
Gas Chromatography	Rhodoislandin B_TMS_25	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	989.283
Gas Chromatography	Rhodoislandin B_TMS_26	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	3156.38
Gas Chromatography	Rhodoislandin B_TMS_27	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	2468.35
Gas Chromatography	Rhodoislandin B_TMS_28	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	2055.18
Gas Chromatography	Rhodoislandin B_TMS_29	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	2007.98
Gas Chromatography	Rhodoislandin B_TMS_30	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	2239.59
Gas Chromatography	Rhodoislandin B_TMS_31	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	2336.03
Gas Chromatography	Rhodoislandin B_TMS_32	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1962.19
Gas Chromatography	Rhodoislandin B_TMS_33	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1256.9
Gas Chromatography	Rhodoislandin B_TMS_34	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2456.43
Gas Chromatography	Rhodoislandin B_TMS_35	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	3146.8
Gas Chromatography	Rhodoislandin B_TMS_36	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1093.9
Gas Chromatography	Rhodoislandin B_TMS_37	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	3273.12
Gas Chromatography	Rhodoislandin B_TMS_38	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	1940.8
Gas Chromatography	Rhodoislandin B_TMS_39	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	1820.61
Gas Chromatography	Rhodoislandin B_TMS_40	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	1822.77
Gas Chromatography	Rhodoislandin B_TMS_41	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	1350.37
Gas Chromatography	Rhodoislandin B_TMS_42	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2937.31
Gas Chromatography	Rhodoislandin B_TMS_43	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1264.67
Gas Chromatography	Rhodoislandin B_TMS_44	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1817.73
Gas Chromatography	Rhodoislandin B_TMS_45	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2186.39
Gas Chromatography	Rhodoislandin B_TMS_46	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2230.18
Gas Chromatography	Rhodoislandin B_TMS_47	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2557.95
Gas Chromatography	Rhodoislandin B_TMS_48	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	1553.46
Gas Chromatography	Rhodoislandin B_TMS_49	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	2748.77
Gas Chromatography	Rhodoislandin B_TMS_50	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	966.512
Gas Chromatography	Rhodoislandin B_TMS_51	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard non polar	2025-10-23	2382.0
Gas Chromatography	Rhodoislandin B_TMS_52	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2542.09
Gas Chromatography	Rhodoislandin B_TMS_53	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2766.9
Gas Chromatography	Rhodoislandin B_TMS_54	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2899.94
Gas Chromatography	Rhodoislandin B_TMS_55	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	510.115
Gas Chromatography	Rhodoislandin B_TMS_56	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	2498.39
Gas Chromatography	Rhodoislandin B_TMS_57	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2464.11
Gas Chromatography	Rhodoislandin B_TMS_58	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1623.98
Gas Chromatography	Rhodoislandin B_TMS_59	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	2044.86
Gas Chromatography	Rhodoislandin B_TMS_60	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1410.38
Gas Chromatography	Rhodoislandin B_TMS_61	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard non polar	2025-10-23	2772.6
Gas Chromatography	Rhodoislandin B_TMS_62	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard non polar	2025-10-23	1914.93
Gas Chromatography	Rhodoislandin B_TMS_1	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	2533.21
Gas Chromatography	Rhodoislandin B_TMS_2	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2752.15
Gas Chromatography	Rhodoislandin B_TMS_3	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	2875.34
Gas Chromatography	Rhodoislandin B_TMS_4	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	3589.54
Gas Chromatography	Rhodoislandin B_TMS_5	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	2017.25
Gas Chromatography	Rhodoislandin B_TMS_6	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	2079.24
Gas Chromatography	Rhodoislandin B_TMS_7	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	489.843
Gas Chromatography	Rhodoislandin B_TMS_8	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1864.66
Gas Chromatography	Rhodoislandin B_TMS_9	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	1959.83
Gas Chromatography	Rhodoislandin B_TMS_10	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	1428.92
Gas Chromatography	Rhodoislandin B_TMS_11	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	3311.34
Gas Chromatography	Rhodoislandin B_TMS_12	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2025.66
Gas Chromatography	Rhodoislandin B_TMS_13	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1807.69
Gas Chromatography	Rhodoislandin B_TMS_14	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2092.44
Gas Chromatography	Rhodoislandin B_TMS_15	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2964.42
Gas Chromatography	Rhodoislandin B_TMS_16	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1638.85
Gas Chromatography	Rhodoislandin B_TMS_17	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1347.37
Gas Chromatography	Rhodoislandin B_TMS_18	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	2525.48
Gas Chromatography	Rhodoislandin B_TMS_19	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	1635.94
Gas Chromatography	Rhodoislandin B_TMS_20	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	3189.89
Gas Chromatography	Rhodoislandin B_TMS_21	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	2485.28
Gas Chromatography	Rhodoislandin B_TMS_22	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	3148.66
Gas Chromatography	Rhodoislandin B_TMS_23	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	3093.79
Gas Chromatography	Rhodoislandin B_TMS_24	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1775.3
Gas Chromatography	Rhodoislandin B_TMS_25	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1509.88
Gas Chromatography	Rhodoislandin B_TMS_26	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	3050.47
Gas Chromatography	Rhodoislandin B_TMS_27	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	2051.76
Gas Chromatography	Rhodoislandin B_TMS_28	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1857.45
Gas Chromatography	Rhodoislandin B_TMS_29	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	2043.27
Gas Chromatography	Rhodoislandin B_TMS_30	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	3065.62
Gas Chromatography	Rhodoislandin B_TMS_31	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	1710.88
Gas Chromatography	Rhodoislandin B_TMS_32	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2407.92
Gas Chromatography	Rhodoislandin B_TMS_33	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1427.17
Gas Chromatography	Rhodoislandin B_TMS_34	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	3133.14
Gas Chromatography	Rhodoislandin B_TMS_35	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1726.48
Gas Chromatography	Rhodoislandin B_TMS_36	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1037.0
Gas Chromatography	Rhodoislandin B_TMS_37	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2546.94
Gas Chromatography	Rhodoislandin B_TMS_38	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1246.97
Gas Chromatography	Rhodoislandin B_TMS_39	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	2635.93
Gas Chromatography	Rhodoislandin B_TMS_40	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	2119.36
Gas Chromatography	Rhodoislandin B_TMS_41	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	2564.51
Gas Chromatography	Rhodoislandin B_TMS_42	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	3066.37
Gas Chromatography	Rhodoislandin B_TMS_43	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	3650.39
Gas Chromatography	Rhodoislandin B_TMS_44	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1840.8
Gas Chromatography	Rhodoislandin B_TMS_45	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	3180.79
Gas Chromatography	Rhodoislandin B_TMS_46	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1252.1
Gas Chromatography	Rhodoislandin B_TMS_47	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1338.95
Gas Chromatography	Rhodoislandin B_TMS_48	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1619.74
Gas Chromatography	Rhodoislandin B_TMS_49	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	2858.59
Gas Chromatography	Rhodoislandin B_TMS_50	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	2494.29
Gas Chromatography	Rhodoislandin B_TMS_51	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O	standard polar	2025-10-23	1353.05
Gas Chromatography	Rhodoislandin B_TMS_52	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1716.67
Gas Chromatography	Rhodoislandin B_TMS_53	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	3596.43
Gas Chromatography	Rhodoislandin B_TMS_54	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2229.93
Gas Chromatography	Rhodoislandin B_TMS_55	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	528.629
Gas Chromatography	Rhodoislandin B_TMS_56	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1323.97
Gas Chromatography	Rhodoislandin B_TMS_57	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	4524.04
Gas Chromatography	Rhodoislandin B_TMS_58	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1161.14
Gas Chromatography	Rhodoislandin B_TMS_59	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2965.19
Gas Chromatography	Rhodoislandin B_TMS_60	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O)C=C3O[Si](C)(C)C	standard polar	2025-10-23	2991.37
Gas Chromatography	Rhodoislandin B_TMS_61	CC1=CC(O[Si](C)(C)C)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O	standard polar	2025-10-23	1622.13
Gas Chromatography	Rhodoislandin B_TMS_62	CC1=CC(O)=C2C(=O)C3=C(C(=O)C2=C1)C(C1=CC=C(O[Si](C)(C)C)C2=C1C(=O)C1=C(O[Si](C)(C)C)C(C)=CC(O[Si](C)(C)C)=C1C2=O)=C(O[Si](C)(C)C)C=C3O[Si](C)(C)C	standard polar	2025-10-23	1149.05

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Associated OMIM IDs

114500 (Colorectal cancer)
610247 (Eosinophilic esophagitis)

Human Proteins and Enzymes

Protein ID	Protein Name	Protein Type	Uniprot ID	Species

Human Pathways

Pathways

Name	SMPDB/PathBank

Microbial Pathways

Pathways

Not Available

Metabolic Reactions

Reactions

This table shows at most 20 reactions. For the full list of associated reactions:

See All Associated Reactions

Reaction ID	Precursor	Product	Enzyme	Reaction Type	Data Source	Reference

Health Effects and Bioactivity

Health Outcome/Bioactivity	Metabolite Response/Effect	Evidence Type	Host and Biospecimen	Data Source	Reference

Microbial Sources

Superkingdom/Kingdom	Phylum	Total species	Hosts and Body Sites	Microbial Links
Eukaryota/Fungi	Ascomycota	1	Human feces	Metabolic reconstruction

Exposure Sources

Other Exposures

Source Type	Data Source	Reference

Host Biospecimen and Location

Host and Biospecimen	Status	Mean	Std	Min	Max	Units	Age	Sex	Health Condition	Data Source	Reference

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5491374

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

CMMC Knowledgebase

Not Available

General References

van Santen JA, Poynton EF, Iskakova D, McMann E, Alsup TA, Clark TN, Fergusson CH, Fewer DP, Hughes AH, McCadden CA, Parra J, Soldatou S, Rudolf JD, Janssen EM, Duncan KR, Linington RG: The Natural Products Atlas 2.0: a database of microbially-derived natural products. Nucleic Acids Res. 2022 Jan 7;50(D1):D1317-D1323. doi: 10.1093/nar/gkab941. [PubMed:34718710 ]

Showing metabocard for Rhodoislandin B (MMDBc0013244)

MOL for #<Metabolite:0x00007f9ad8ef6030>

3D MOL for #<Metabolite:0x00007f9ad8ef6030>

3D SDF for #<Metabolite:0x00007f9ad8ef6030>

3D-SDF for #<Metabolite:0x00007f9ad8ef6030>

PDB for #<Metabolite:0x00007f9ad8ef6030>

3D PDB for #<Metabolite:0x00007f9ad8ef6030>

SMILES for #<Metabolite:0x00007f9ad8ef6030>

INCHI for #<Metabolite:0x00007f9ad8ef6030>

Structure for #<Metabolite:0x00007f9ad8ef6030>

3D Structure for #<Metabolite:0x00007f9ad8ef6030>