MiMeDB: Showing metabocard for Lucidenic acid N (MMDBc0014657)

Record Information

Version

1.0

Status

Detected and Quantified

Creation Date

2021-05-15 05:38:36 UTC

Update Date

2022-12-15 22:51:45 UTC

Metabolite ID

MMDBc0014657

Metabolite Identification

Common Name

Lucidenic acid N

Description

Lucidenic acid N, also known as lucidenate N, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Based on a literature review a small amount of articles have been published on Lucidenic acid N.

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152107382D          

 38 41  0  0  1  0            999 V2000
   -0.5528   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119    3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    2.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    0.3176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3574    0.9689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8399    2.6391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8111    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    2.1537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5278    1.6682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0962    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.3777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4672    0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7475    1.7180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3081    3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230    3.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109   -0.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3155    0.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -0.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    1.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    3.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 14  1  1  6  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 15 14  1  1  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21  8  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 24  3  1  0  0  0  0
 24 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25  4  1  1  0  0  0
 25 10  1  0  0  0  0
 25 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26  5  1  1  0  0  0
 26 13  1  0  0  0  0
 26 15  1  0  0  0  0
 27  6  1  6  0  0  0
 27 20  1  0  0  0  0
 27 23  1  0  0  0  0
 27 26  1  0  0  0  0
 16 28  1  1  0  0  0
 29 17  2  0  0  0  0
 19 30  1  1  0  0  0
 31 20  2  0  0  0  0
 32 21  2  0  0  0  0
 33 21  1  0  0  0  0
 14 34  1  1  0  0  0
 15 35  1  6  0  0  0
 16 36  1  6  0  0  0
 18 37  1  6  0  0  0
 19 38  1  6  0  0  0
M  END


  Mrv1652305152107382D          

 38 41  0  0  1  0            999 V2000
   -0.5528   -0.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7119    3.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7094    2.7131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6232    0.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1073    0.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9451    2.5190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810    0.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1873   -0.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2475    0.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4354    0.7470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5867    1.7614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6520    2.7844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9990    0.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8637    0.3176    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3574    0.9689    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8399    2.6391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8111    0.4566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1838    2.1537    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5278    1.6682    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0962    2.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0046   -0.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0914    1.2325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5596    1.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9960    2.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9035    1.3777    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4672    0.9421    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7475    1.7180    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3081    3.2699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3429   -0.1741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3399    1.8134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1230    3.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5109   -0.7594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3155    0.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3701   -0.3338    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1676    1.1244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1202    3.4151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3717    2.0084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8081    2.4441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 14  1  1  6  0  0  0
 14  7  1  0  0  0  0
 15 11  1  0  0  0  0
 15 14  1  1  0  0  0
 16 12  1  0  0  0  0
 17 13  1  0  0  0  0
 18 12  1  0  0  0  0
 19  9  1  0  0  0  0
 20 11  1  0  0  0  0
 21  8  1  0  0  0  0
 22 17  1  0  0  0  0
 23 16  1  0  0  0  0
 23 22  2  0  0  0  0
 24  2  1  0  0  0  0
 24  3  1  0  0  0  0
 24 18  1  0  0  0  0
 24 19  1  0  0  0  0
 25  4  1  1  0  0  0
 25 10  1  0  0  0  0
 25 18  1  0  0  0  0
 25 22  1  0  0  0  0
 26  5  1  1  0  0  0
 26 13  1  0  0  0  0
 26 15  1  0  0  0  0
 27  6  1  6  0  0  0
 27 20  1  0  0  0  0
 27 23  1  0  0  0  0
 27 26  1  0  0  0  0
 16 28  1  1  0  0  0
 29 17  2  0  0  0  0
 19 30  1  1  0  0  0
 31 20  2  0  0  0  0
 32 21  2  0  0  0  0
 33 21  1  0  0  0  0
 14 34  1  1  0  0  0
 15 35  1  6  0  0  0
 16 36  1  6  0  0  0
 18 37  1  6  0  0  0
 19 38  1  6  0  0  0
M  END
> <DATABASE_ID>
MMDBc0014657

> <DATABASE_NAME>
MIME

> <SMILES>
[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])C[C@]3([H])O

> <INCHI_IDENTIFIER>
InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1

> <INCHI_KEY>
YBGBNHHXOJXFNM-UQCMLMITSA-N

> <FORMULA>
C27H40O6

> <MOLECULAR_WEIGHT>
460.611

> <EXACT_MASS>
460.282489008

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
73

> <JCHEM_AVERAGE_POLARIZABILITY>
51.62374250129134

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4R)-4-[(2S,5S,7R,9S,11R,14R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]pentanoic acid

> <ALOGPS_LOGP>
3.48

> <JCHEM_LOGP>
3.050476021333335

> <ALOGPS_LOGS>
-4.48

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
14.514662205098585

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.221206498561626

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8070085967614115

> <JCHEM_POLAR_SURFACE_AREA>
111.89999999999999

> <JCHEM_REFRACTIVITY>
124.51139999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.52e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4R)-4-[(2S,5S,7R,9S,11R,14R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]pentanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 15-MAY-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   15-MAY-21         0                                  
HETATM    1  C   UNK     0      -1.032  -0.834   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       6.929   5.737   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.791   5.064   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.897   1.123   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.200   0.373   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.764   4.702   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -3.138   0.803   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.083  -0.412   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.929   1.666   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.413   1.394   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.095   3.288   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.950   5.197   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.865   0.581   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.612   0.593   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -0.667   1.809   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.434   4.926   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       3.381   0.852   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.943   4.020   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.452   3.114   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.179   4.152   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -5.609  -0.202   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       3.904   2.301   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.911   3.478   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       7.459   4.291   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.420   2.572   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.872   1.759   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.395   3.207   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       2.442   6.104   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0       4.374  -0.325   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0       9.968   3.385   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0       0.230   5.691   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0      -6.554  -1.418   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0      -6.189   1.225   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0      -2.557  -0.623   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0      -2.180   2.099   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0       3.958   6.375   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       4.427   3.749   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0       8.975   4.562   0.000  0.00  0.00           H+0
CONECT    1   14                                                            
CONECT    2   24                                                            
CONECT    3   24                                                            
CONECT    4   25                                                            
CONECT    5   26                                                            
CONECT    6   27                                                            
CONECT    7    8   14                                                       
CONECT    8    7   21                                                       
CONECT    9   10   19                                                       
CONECT   10    9   25                                                       
CONECT   11   15   20                                                       
CONECT   12   16   18                                                       
CONECT   13   17   26                                                       
CONECT   14    1    7   15   34                                             
CONECT   15   11   14   26   35                                             
CONECT   16   12   23   28   36                                             
CONECT   17   13   22   29                                                  
CONECT   18   12   24   25   37                                             
CONECT   19    9   24   30   38                                             
CONECT   20   11   27   31                                                  
CONECT   21    8   32   33                                                  
CONECT   22   17   23   25                                                  
CONECT   23   16   22   27                                                  
CONECT   24    2    3   18   19                                             
CONECT   25    4   10   18   22                                             
CONECT   26    5   13   15   27                                             
CONECT   27    6   20   23   26                                             
CONECT   28   16                                                            
CONECT   29   17                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   21                                                            
CONECT   33   21                                                            
CONECT   34   14                                                            
CONECT   35   15                                                            
CONECT   36   16                                                            
CONECT   37   18                                                            
CONECT   38   19                                                            
MASTER        0    0    0    0    0    0    0    0   38    0   82    0
END

Synonyms

Value	Source
3,7-Dihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-Oic acid	ChEBI
3,7-Dihydroxy-25,26,27-trinor-11,15-dioxolanost-8-en-24-Oate	Generator
Lucidenate N	Generator

Molecular Formula

C₂₇H₄₀O₆

Average Mass

460.611

Monoisotopic Mass

460.282489008

IUPAC Name

(4R)-4-[(2S,5S,7R,9S,11R,14R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]pentanoic acid

Traditional Name

(4R)-4-[(2S,5S,7R,9S,11R,14R,15R)-5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-1(10)-en-14-yl]pentanoic acid

CAS Registry Number

Not Available

SMILES

[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@]([H])(O)C(C)(C)[C@]1([H])C[C@]3([H])O

InChI Identifier

InChI=1S/C27H40O6/c1-14(7-8-21(32)33)15-11-20(31)27(6)23-16(28)12-18-24(2,3)19(30)9-10-25(18,4)22(23)17(29)13-26(15,27)5/h14-16,18-19,28,30H,7-13H2,1-6H3,(H,32,33)/t14-,15-,16+,18+,19+,25+,26-,27+/m1/s1

InChI Key

YBGBNHHXOJXFNM-UQCMLMITSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Dihydroxy bile acid, alcohol, or derivatives
Hydroxy bile acid, alcohol, or derivatives
Bile acid, alcohol, or derivatives
3-hydroxysteroid
Hydroxysteroid
11-oxosteroid
15-oxosteroid
Oxosteroid
14-alpha-methylsteroid
3-beta-hydroxysteroid
7-alpha-hydroxysteroid
7-hydroxysteroid
Steroid
Cyclohexenone
Cyclic alcohol
Ketone
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid derivative
Carboxylic acid
Organooxygen compound
Alcohol
Organic oxygen compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

secondary alcohol (CHEBI:66595 )
dioxo monocarboxylic acid (CHEBI:66595 )
tetracyclic triterpenoid (CHEBI:66595 )
cyclic terpene ketone (CHEBI:66595 )

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.015 g/L	ALOGPS
logP	3.48	ALOGPS
logP	3.05	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Acidic)	4.22	ChemAxon
pKa (Strongest Basic)	-0.81	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	111.9 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	124.51 m³·mol⁻¹	ChemAxon
Polarizability	51.62 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	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 (eluted)	2025-10-23	133.5
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	58.0
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	545.5
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	629.0
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	605.7
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	176.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	2795.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (void)	2025-10-23	86.6
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	365.9
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	550.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	223.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	162.8
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	210.4
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (void)	2025-10-23	15.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	222.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	174.4
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	461.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	1626.5
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	1055.2

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Lucidenic acid N_TMS_1	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1473.98
Gas Chromatography	Lucidenic acid N_TMS_2	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1610.84
Gas Chromatography	Lucidenic acid N_TMS_3	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2151.17
Gas Chromatography	Lucidenic acid N_TMS_4	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	2183.24
Gas Chromatography	Lucidenic acid N_TMS_5	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	2654.08
Gas Chromatography	Lucidenic acid N_TMS_6	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	2831.99
Gas Chromatography	Lucidenic acid N_TMS_7	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1794.94
Gas Chromatography	Lucidenic acid N_TMS_8	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1685.34
Gas Chromatography	Lucidenic acid N_TMS_9	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	2506.51
Gas Chromatography	Lucidenic acid N_TMS_10	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1837.15
Gas Chromatography	Lucidenic acid N_TMS_11	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1537.77
Gas Chromatography	Lucidenic acid N_TMS_12	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	2987.93
Gas Chromatography	Lucidenic acid N_TMS_13	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1545.52
Gas Chromatography	Lucidenic acid N_TMS_14	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1187.13
Gas Chromatography	Lucidenic acid N_TMS_15	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1242.6
Gas Chromatography	Lucidenic acid N_TMS_16	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1968.24
Gas Chromatography	Lucidenic acid N_TMS_17	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1990.01
Gas Chromatography	Lucidenic acid N_TMS_18	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	2389.71
Gas Chromatography	Lucidenic acid N_TMS_19	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2577.57
Gas Chromatography	Lucidenic acid N_TMS_20	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1089.5
Gas Chromatography	Lucidenic acid N_TMS_21	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1207.52
Gas Chromatography	Lucidenic acid N_TMS_22	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2076.16
Gas Chromatography	Lucidenic acid N_TMS_23	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1594.73
Gas Chromatography	Lucidenic acid N_TMS_24	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	1931.12
Gas Chromatography	Lucidenic acid N_TMS_25	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2513.41
Gas Chromatography	Lucidenic acid N_TMS_26	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1575.99
Gas Chromatography	Lucidenic acid N_TMS_27	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1743.38
Gas Chromatography	Lucidenic acid N_TMS_28	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard non polar	2025-10-23	2602.28
Gas Chromatography	Lucidenic acid N_TMS_29	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	2505.62
Gas Chromatography	Lucidenic acid N_TMS_30	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1961.76
Gas Chromatography	Lucidenic acid N_TMS_31	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard non polar	2025-10-23	1512.13
Gas Chromatography	Lucidenic acid N_TMS_1	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	2207.57
Gas Chromatography	Lucidenic acid N_TMS_2	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	2752.77
Gas Chromatography	Lucidenic acid N_TMS_3	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1676.36
Gas Chromatography	Lucidenic acid N_TMS_4	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	2216.51
Gas Chromatography	Lucidenic acid N_TMS_5	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	2514.1
Gas Chromatography	Lucidenic acid N_TMS_6	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	1679.05
Gas Chromatography	Lucidenic acid N_TMS_7	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1736.12
Gas Chromatography	Lucidenic acid N_TMS_8	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	2054.33
Gas Chromatography	Lucidenic acid N_TMS_9	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	1648.88
Gas Chromatography	Lucidenic acid N_TMS_10	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	3091.39
Gas Chromatography	Lucidenic acid N_TMS_11	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	338.62
Gas Chromatography	Lucidenic acid N_TMS_12	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	1334.61
Gas Chromatography	Lucidenic acid N_TMS_13	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2055.18
Gas Chromatography	Lucidenic acid N_TMS_14	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2213.11
Gas Chromatography	Lucidenic acid N_TMS_15	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	3184.88
Gas Chromatography	Lucidenic acid N_TMS_16	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2362.89
Gas Chromatography	Lucidenic acid N_TMS_17	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	1911.82
Gas Chromatography	Lucidenic acid N_TMS_18	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	2365.91
Gas Chromatography	Lucidenic acid N_TMS_19	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	561.191
Gas Chromatography	Lucidenic acid N_TMS_20	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2244.56
Gas Chromatography	Lucidenic acid N_TMS_21	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	625.444
Gas Chromatography	Lucidenic acid N_TMS_22	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1947.72
Gas Chromatography	Lucidenic acid N_TMS_23	C[C@H](CCC(=O)O)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	3422.24
Gas Chromatography	Lucidenic acid N_TMS_24	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	806.716
Gas Chromatography	Lucidenic acid N_TMS_25	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1645.02
Gas Chromatography	Lucidenic acid N_TMS_26	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2736.43
Gas Chromatography	Lucidenic acid N_TMS_27	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2766.77
Gas Chromatography	Lucidenic acid N_TMS_28	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O	standard polar	2025-10-23	2996.95
Gas Chromatography	Lucidenic acid N_TMS_29	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	2713.87
Gas Chromatography	Lucidenic acid N_TMS_30	C[C@H](CCC(=O)O)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1565.78
Gas Chromatography	Lucidenic acid N_TMS_31	C[C@H](CCC(=O)O[Si](C)(C)C)[C@H]1C=C(O[Si](C)(C)C)[C@@]2(C)C3=C(C(O[Si](C)(C)C)=C[C@]12C)[C@@]1(C)CC[C@H](O[Si](C)(C)C)C(C)(C)[C@@H]1C[C@@H]3O[Si](C)(C)C	standard polar	2025-10-23	1616.7

Biological Properties

Cellular Locations

Extracellular

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	Basidiomycota	3	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

C00042076

Chemspider ID

10213993

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

21592283

PDB ID

Not Available

ChEBI ID

66595

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 Lucidenic acid N (MMDBc0014657)

MOL for #<Metabolite:0x00007f9acd34c1b8>

3D MOL for #<Metabolite:0x00007f9acd34c1b8>

3D SDF for #<Metabolite:0x00007f9acd34c1b8>

3D-SDF for #<Metabolite:0x00007f9acd34c1b8>

PDB for #<Metabolite:0x00007f9acd34c1b8>

3D PDB for #<Metabolite:0x00007f9acd34c1b8>

SMILES for #<Metabolite:0x00007f9acd34c1b8>

INCHI for #<Metabolite:0x00007f9acd34c1b8>

Structure for #<Metabolite:0x00007f9acd34c1b8>

3D Structure for #<Metabolite:0x00007f9acd34c1b8>