MiMeDB: Showing metabocard for Cutinostatin B (MMDBc0014681)

Record Information

Version

2.0

Status

Detected and Quantified

Creation Date

2021-05-15 05:39:31 UTC

Update Date

2025-10-07 16:06:18 UTC

Metabolite ID

MMDBc0014681

Metabolite Identification

Common Name

Cutinostatin B

Description

Cutinostatin B is a cutinase inhibitor belonging to the class of secondary metabolites produced by Actinomycetes. This compound has been shown to exhibit significant biochemical activity, particularly in inhibiting the cutinase enzyme activity of Cladosporium fulvum, with an IC50 value of 28.9 μM when using β-naphthyl caproate as a substrate, and achieving 95% inhibition with crude apple cutin at a concentration of 263 μM (PMID:27299545 ). The binding affinity of Cutinostatin B has been evaluated, revealing potential interactions with a range of compounds, with MMGBSA scores between -52.39 and -60.87 Kcal/mol and docking energies ranging from -7.307 Kcal/mol to -6.972 Kcal/mol (PMID:37139795 ). This suggests that Cutinostatin B may play a role in the biochemical pathways involving cutin degradation, highlighting its potential applications in agricultural biotechnology and biocontrol strategies. The purification of Cutinostatin B from culture filtrates further emphasizes its relevance in microbial metabolism and its potential utility in biotechnological applications (PMID:27299545 ).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305152107392D          

 27 28  0  0  0  0            999 V2000
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  4  0  0  0
 19 15  2  0  0  0  0
 20 12  1  4  0  0  0
 20 16  2  0  0  0  0
 21  9  1  0  0  0  0
 21 17  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  2  0  0  0  0
 27 21  1  0  0  0  0
M  END


  Mrv1652305152107392D          

 27 28  0  0  0  0            999 V2000
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 12  6  1  0  0  0  0
 13  7  2  0  0  0  0
 14 10  2  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
 19 11  1  4  0  0  0
 19 15  2  0  0  0  0
 20 12  1  4  0  0  0
 20 16  2  0  0  0  0
 21  9  1  0  0  0  0
 21 17  1  0  0  0  0
 22 13  1  0  0  0  0
 23 14  1  0  0  0  0
 24 15  1  0  0  0  0
 25 16  1  0  0  0  0
 26 17  2  0  0  0  0
 27 21  1  0  0  0  0
M  END
> <DATABASE_ID>
MMDBc0014681

> <DATABASE_NAME>
MIME

> <SMILES>
NCCCC(N=C(O)C1=C(O)C(O)=CC=C1)C(O)=NC1CCCN(O)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C17H24N4O6/c18-8-2-5-11(16(25)20-12-6-3-9-21(27)17(12)26)19-15(24)10-4-1-7-13(22)14(10)23/h1,4,7,11-12,22-23,27H,2-3,5-6,8-9,18H2,(H,19,24)(H,20,25)

> <INCHI_KEY>
WRZPMVMHSJTCJE-UHFFFAOYSA-N

> <FORMULA>
C17H24N4O6

> <MOLECULAR_WEIGHT>
380.401

> <EXACT_MASS>
380.169584509

> <JCHEM_ACCEPTOR_COUNT>
9

> <JCHEM_ATOM_COUNT>
51

> <JCHEM_AVERAGE_POLARIZABILITY>
38.221751483070676

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
5-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-N-(1-hydroxy-2-oxopiperidin-3-yl)pentanimidic acid

> <ALOGPS_LOGP>
0.03

> <JCHEM_LOGP>
-1.1522237428747752

> <ALOGPS_LOGS>
-3.18

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
7.397206599335198

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6025142404979906

> <JCHEM_PKA_STRONGEST_BASIC>
12.858845124268141

> <JCHEM_POLAR_SURFACE_AREA>
172.2

> <JCHEM_REFRACTIVITY>
96.90129999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.50e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-N-(1-hydroxy-2-oxopiperidin-3-yl)pentanimidic 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       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      10.669   0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      12.003  -0.770   0.000  0.00  0.00           N+0
HETATM   19  N   UNK     0       6.668  -2.310   0.000  0.00  0.00           N+0
HETATM   20  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   21  N   UNK     0       1.334   2.310   0.000  0.00  0.00           N+0
HETATM   22  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       4.001  -2.310   0.000  0.00  0.00           O+0
HETATM   25  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   26  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   27  O   UNK     0       1.334   3.850   0.000  0.00  0.00           O+0
CONECT    1    4    7                                                       
CONECT    2    5    8                                                       
CONECT    3    6    9                                                       
CONECT    4    1   10                                                       
CONECT    5    2   11                                                       
CONECT    6    3   12                                                       
CONECT    7    1   13                                                       
CONECT    8    2   18                                                       
CONECT    9    3   21                                                       
CONECT   10    4   14   15                                                  
CONECT   11    5   16   19                                                  
CONECT   12    6   17   20                                                  
CONECT   13    7   14   22                                                  
CONECT   14   10   13   23                                                  
CONECT   15   10   19   24                                                  
CONECT   16   11   20   25                                                  
CONECT   17   12   21   26                                                  
CONECT   18    8                                                            
CONECT   19   11   15                                                       
CONECT   20   12   16                                                       
CONECT   21    9   17   27                                                  
CONECT   22   13                                                            
CONECT   23   14                                                            
CONECT   24   15                                                            
CONECT   25   16                                                            
CONECT   26   17                                                            
CONECT   27   21                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   56    0
END

Synonyms

Not Available

Molecular Formula

C₁₇H₂₄N₄O₆

Average Mass

380.401

Monoisotopic Mass

380.169584509

IUPAC Name

5-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-N-(1-hydroxy-2-oxopiperidin-3-yl)pentanimidic acid

Traditional Name

5-amino-2-{[(2,3-dihydroxyphenyl)(hydroxy)methylidene]amino}-N-(1-hydroxy-2-oxopiperidin-3-yl)pentanimidic acid

CAS Registry Number

Not Available

SMILES

NCCCC(N=C(O)C1=C(O)C(O)=CC=C1)C(O)=NC1CCCN(O)C1=O

InChI Identifier

InChI=1S/C17H24N4O6/c18-8-2-5-11(16(25)20-12-6-3-9-21(27)17(12)26)19-15(24)10-4-1-7-13(22)14(10)23/h1,4,7,11-12,22-23,27H,2-3,5-6,8-9,18H2,(H,19,24)(H,20,25)

InChI Key

WRZPMVMHSJTCJE-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Dipeptides

Alternative Parents

Substituents

Alpha-dipeptide
N-acyl-alpha amino acid or derivatives
Hippuric acid or derivatives
Alpha-amino acid amide
Salicylamide
Salicylic acid or derivatives
N-substituted-alpha-amino acid
Alpha-amino acid or derivatives
Benzoic acid or derivatives
Benzamide
Catechol
Benzoyl
Piperidinone
Phenol
1-hydroxy-2-unsubstituted benzenoid
1-hydroxy-4-unsubstituted benzenoid
Delta-lactam
Fatty amide
Fatty acyl
N-acyl-amine
Benzenoid
Piperidine
Monocyclic benzene moiety
Vinylogous acid
Amino acid or derivatives
Carboxamide group
Secondary carboxylic acid amide
Hydroxamic acid
Lactam
Organoheterocyclic compound
Azacycle
Organic nitrogen compound
Primary aliphatic amine
Carbonyl group
Organonitrogen compound
Organooxygen compound
Primary amine
Hydrocarbon derivative
Organic oxide
Amine
Organopnictogen compound
Organic oxygen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Functional Ontology

Not Available

Physical Properties

State

Expected Solid

Predicted Properties

Property	Value	Source
Water Solubility	0.25 g/L	ALOGPS
logP	0.03	ALOGPS
logP	-1.2	ChemAxon
logS	-3.2	ALOGPS
pKa (Strongest Acidic)	3.6	ChemAxon
pKa (Strongest Basic)	12.86	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	9	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	172.2 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	96.9 m³·mol⁻¹	ChemAxon
Polarizability	38.22 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	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 (eluted)	2025-10-23	330.3
Liquid Chromatography	HILIC	Accucore 150 Amide HILIC (eluted)	2025-10-23	253.9
Liquid Chromatography	Reversed-phase	Hypersil Gold 1.9 µm C18 (eluted)	2025-10-23	274.3
Liquid Chromatography	Reversed-phase	Agilent Zorbax Eclipse Plus C18 (2.1 mm x 150 mm, 3.5 um) (eluted)	2025-10-23	343.4
Liquid Chromatography	Reversed-phase	XBridge C18 3.5u 2.1x50 mm (eluted)	2025-10-23	290.4
Liquid Chromatography	Reversed-phase	Ascentis Express C18 (eluted)	2025-10-23	184.3
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	882.3
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	626.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC (eluted)	2025-10-23	256.7
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	142.1
Liquid Chromatography	HILIC	Merck SeQuant ZIC-HILIC (eluted)	2025-10-23	326.6
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC HSS T3 C18 (eluted)	2025-10-23	148.5
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	105.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	264.2
Liquid Chromatography	HILIC	Merck SeQuant ZIC-pHILIC column (eluted)	2025-10-23	421.2
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	69.0
Liquid Chromatography	Reversed-phase	Waters ACQUITY UPLC BEH C18 (eluted)	2025-10-23	227.2
Liquid Chromatography	Reversed-phase	Kinetex Core-Shell C18 2.6 um, 3.0 x 100 mm, Phenomenex (eluted)	2025-10-23	907.0
Liquid Chromatography	Reversed-phase	Waters Atlantis T3 (2.1 x 150 mm, 5 um) (eluted)	2025-10-23	646.4

Retention Indices

Chromatography Type	Peak Label	SMILES	Stationary Phase	Deposition Date	Retention Index
Gas Chromatography	Cutinostatin B_TMS_1	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O	standard non polar	2025-10-23	1817.74
Gas Chromatography	Cutinostatin B_TMS_2	C[Si](C)(C)OC1=C(O)C=CC=C1C(O)=NC(CCCN)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	1428.6
Gas Chromatography	Cutinostatin B_TMS_3	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN)C(O)=NC2CCCN(O)C2=O)=C1O	standard non polar	2025-10-23	2228.8
Gas Chromatography	Cutinostatin B_TMS_4	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O)=C1O	standard non polar	2025-10-23	1861.19
Gas Chromatography	Cutinostatin B_TMS_5	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	1938.45
Gas Chromatography	Cutinostatin B_TMS_6	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O	standard non polar	2025-10-23	2542.01
Gas Chromatography	Cutinostatin B_TMS_7	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-23	1742.01
Gas Chromatography	Cutinostatin B_TMS_8	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2232.07
Gas Chromatography	Cutinostatin B_TMS_9	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	1796.16
Gas Chromatography	Cutinostatin B_TMS_10	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN)C(O)=NC2CCCN(O)C2=O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2081.35
Gas Chromatography	Cutinostatin B_TMS_11	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2473.01
Gas Chromatography	Cutinostatin B_TMS_12	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	1936.13
Gas Chromatography	Cutinostatin B_TMS_13	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-23	1117.65
Gas Chromatography	Cutinostatin B_TMS_14	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	1653.13
Gas Chromatography	Cutinostatin B_TMS_15	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	1779.38
Gas Chromatography	Cutinostatin B_TMS_16	C[Si](C)(C)N(CCCC(N=C(O)C1=CC=CC(O)=C1O)C(O)=NC1CCCN(O)C1=O)[Si](C)(C)C	standard non polar	2025-10-23	2732.82
Gas Chromatography	Cutinostatin B_TMS_17	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-23	1870.9
Gas Chromatography	Cutinostatin B_TMS_18	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2028.33
Gas Chromatography	Cutinostatin B_TMS_19	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	1914.75
Gas Chromatography	Cutinostatin B_TMS_20	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1651.94
Gas Chromatography	Cutinostatin B_TMS_21	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	2131.88
Gas Chromatography	Cutinostatin B_TMS_22	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	2121.54
Gas Chromatography	Cutinostatin B_TMS_23	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O	standard non polar	2025-10-23	1730.52
Gas Chromatography	Cutinostatin B_TMS_24	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1183.75
Gas Chromatography	Cutinostatin B_TMS_25	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	1242.75
Gas Chromatography	Cutinostatin B_TMS_26	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	2280.03
Gas Chromatography	Cutinostatin B_TMS_27	C[Si](C)(C)OC1=C(O)C=CC=C1C(O)=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	2082.72
Gas Chromatography	Cutinostatin B_TMS_28	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	2175.86
Gas Chromatography	Cutinostatin B_TMS_29	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC2CCCN(O)C2=O)=C1O	standard non polar	2025-10-23	1647.39
Gas Chromatography	Cutinostatin B_TMS_30	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O)=C1O	standard non polar	2025-10-23	2538.62
Gas Chromatography	Cutinostatin B_TMS_31	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2507.43
Gas Chromatography	Cutinostatin B_TMS_32	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	1557.34
Gas Chromatography	Cutinostatin B_TMS_33	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	1392.33
Gas Chromatography	Cutinostatin B_TMS_34	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O	standard non polar	2025-10-23	1346.64
Gas Chromatography	Cutinostatin B_TMS_35	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard non polar	2025-10-23	2450.19
Gas Chromatography	Cutinostatin B_TMS_36	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-23	2645.63
Gas Chromatography	Cutinostatin B_TMS_37	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2203.5
Gas Chromatography	Cutinostatin B_TMS_38	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	1178.49
Gas Chromatography	Cutinostatin B_TMS_39	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC2CCCN(O)C2=O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1905.73
Gas Chromatography	Cutinostatin B_TMS_40	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2420.2
Gas Chromatography	Cutinostatin B_TMS_41	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-23	1595.46
Gas Chromatography	Cutinostatin B_TMS_42	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard non polar	2025-10-23	2949.34
Gas Chromatography	Cutinostatin B_TMS_43	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O	standard non polar	2025-10-23	2937.89
Gas Chromatography	Cutinostatin B_TMS_44	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2187.4
Gas Chromatography	Cutinostatin B_TMS_45	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	2584.11
Gas Chromatography	Cutinostatin B_TMS_46	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	983.279
Gas Chromatography	Cutinostatin B_TMS_47	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard non polar	2025-10-23	1260.3
Gas Chromatography	Cutinostatin B_TMS_1	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O	standard polar	2025-10-23	2322.32
Gas Chromatography	Cutinostatin B_TMS_2	C[Si](C)(C)OC1=C(O)C=CC=C1C(O)=NC(CCCN)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	2198.08
Gas Chromatography	Cutinostatin B_TMS_3	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN)C(O)=NC2CCCN(O)C2=O)=C1O	standard polar	2025-10-23	2029.2
Gas Chromatography	Cutinostatin B_TMS_4	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O)=C1O	standard polar	2025-10-23	1369.39
Gas Chromatography	Cutinostatin B_TMS_5	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	1989.39
Gas Chromatography	Cutinostatin B_TMS_6	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O	standard polar	2025-10-23	2108.33
Gas Chromatography	Cutinostatin B_TMS_7	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-23	2337.19
Gas Chromatography	Cutinostatin B_TMS_8	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1461.73
Gas Chromatography	Cutinostatin B_TMS_9	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	2159.39
Gas Chromatography	Cutinostatin B_TMS_10	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN)C(O)=NC2CCCN(O)C2=O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1093.53
Gas Chromatography	Cutinostatin B_TMS_11	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2551.66
Gas Chromatography	Cutinostatin B_TMS_12	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	1786.66
Gas Chromatography	Cutinostatin B_TMS_13	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-23	1664.44
Gas Chromatography	Cutinostatin B_TMS_14	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	2062.63
Gas Chromatography	Cutinostatin B_TMS_15	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	1425.88
Gas Chromatography	Cutinostatin B_TMS_16	C[Si](C)(C)N(CCCC(N=C(O)C1=CC=CC(O)=C1O)C(O)=NC1CCCN(O)C1=O)[Si](C)(C)C	standard polar	2025-10-23	1984.04
Gas Chromatography	Cutinostatin B_TMS_17	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-23	2431.57
Gas Chromatography	Cutinostatin B_TMS_18	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2650.96
Gas Chromatography	Cutinostatin B_TMS_19	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	1731.23
Gas Chromatography	Cutinostatin B_TMS_20	C[Si](C)(C)OC(=NC(CCCN)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2837.07
Gas Chromatography	Cutinostatin B_TMS_21	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	1454.32
Gas Chromatography	Cutinostatin B_TMS_22	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	2271.5
Gas Chromatography	Cutinostatin B_TMS_23	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O	standard polar	2025-10-23	1505.71
Gas Chromatography	Cutinostatin B_TMS_24	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2619.71
Gas Chromatography	Cutinostatin B_TMS_25	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	1570.42
Gas Chromatography	Cutinostatin B_TMS_26	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	1625.53
Gas Chromatography	Cutinostatin B_TMS_27	C[Si](C)(C)OC1=C(O)C=CC=C1C(O)=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	2766.59
Gas Chromatography	Cutinostatin B_TMS_28	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	2207.58
Gas Chromatography	Cutinostatin B_TMS_29	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC2CCCN(O)C2=O)=C1O	standard polar	2025-10-23	1279.88
Gas Chromatography	Cutinostatin B_TMS_30	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O)=C1O	standard polar	2025-10-23	1700.49
Gas Chromatography	Cutinostatin B_TMS_31	C[Si](C)(C)OC(=NC(CCCN)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1169.79
Gas Chromatography	Cutinostatin B_TMS_32	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	2966.92
Gas Chromatography	Cutinostatin B_TMS_33	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	876.141
Gas Chromatography	Cutinostatin B_TMS_34	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O	standard polar	2025-10-23	1718.14
Gas Chromatography	Cutinostatin B_TMS_35	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O	standard polar	2025-10-23	1821.22
Gas Chromatography	Cutinostatin B_TMS_36	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-23	1479.22
Gas Chromatography	Cutinostatin B_TMS_37	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	952.624
Gas Chromatography	Cutinostatin B_TMS_38	C[Si](C)(C)NCCCC(N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	2170.94
Gas Chromatography	Cutinostatin B_TMS_39	C[Si](C)(C)OC1=CC=CC(C(O)=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC2CCCN(O)C2=O)=C1O[Si](C)(C)C	standard polar	2025-10-23	3023.88
Gas Chromatography	Cutinostatin B_TMS_40	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	1817.99
Gas Chromatography	Cutinostatin B_TMS_41	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-23	2442.42
Gas Chromatography	Cutinostatin B_TMS_42	C[Si](C)(C)NCCCC(N=C(O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C	standard polar	2025-10-23	1133.73
Gas Chromatography	Cutinostatin B_TMS_43	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O	standard polar	2025-10-23	2606.36
Gas Chromatography	Cutinostatin B_TMS_44	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O)=C1O[Si](C)(C)C	standard polar	2025-10-23	2073.65
Gas Chromatography	Cutinostatin B_TMS_45	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(O)=NC1CCCN(O)C1=O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	3044.31
Gas Chromatography	Cutinostatin B_TMS_46	C[Si](C)(C)OC(=NC1CCCN(O)C1=O)C(CCCN([Si](C)(C)C)[Si](C)(C)C)N=C(O)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	1603.75
Gas Chromatography	Cutinostatin B_TMS_47	C[Si](C)(C)OC(=NC(CCCN([Si](C)(C)C)[Si](C)(C)C)C(=NC1CCCN(O)C1=O)O[Si](C)(C)C)C1=CC=CC(O[Si](C)(C)C)=C1O[Si](C)(C)C	standard polar	2025-10-23	2076.46

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
Bacteria	Actinobacteria	1	Human ; Human feces; Human saliva; Human urine; Human supragingival plaque; Human sputum; Human subgingival plaque	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

78434987

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139587098

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 Cutinostatin B (MMDBc0014681)

MOL for #<Metabolite:0x00007f9abc1c0aa8>

3D MOL for #<Metabolite:0x00007f9abc1c0aa8>

3D SDF for #<Metabolite:0x00007f9abc1c0aa8>

3D-SDF for #<Metabolite:0x00007f9abc1c0aa8>

PDB for #<Metabolite:0x00007f9abc1c0aa8>

3D PDB for #<Metabolite:0x00007f9abc1c0aa8>

SMILES for #<Metabolite:0x00007f9abc1c0aa8>

INCHI for #<Metabolite:0x00007f9abc1c0aa8>

Structure for #<Metabolite:0x00007f9abc1c0aa8>

3D Structure for #<Metabolite:0x00007f9abc1c0aa8>