Summary

IMPPAT Phytochemical identifier: IMPHY005571

Phytochemical name: Coriolic acid

Synonymous chemical names:
13-hydroxyoctadeca-cis-9-trans-11-dienoic-acid

External chemical identifiers:
CID:5282947, ChEBI:72639, SureChEMBL:SCHEMBL2467201

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Chemical structure information

SMILES:
CCCCCC(/C=C/C=CCCCCCCCC(=O)O)O

InChI:
InChI=1S/C18H32O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,12,15,17,19H,2-6,8,10-11,13-14,16H2,1H3,(H,20,21)/b9-7-,15-12+

InChIKey:
HNICUWMFWZBIFP-BSZOFBHHSA-N

DeepSMILES:
CCCCCC/C=C/C=CCCCCCCCC=O)O)))))))))))))O

Functional groups:
C/C=CC=CC, CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Lineolic acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Octadecanoids

NP Classifier Class: Other Octadecanoids

NP-Likeness score: 1.833

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Chemical structure download