Summary

IMPPAT Phytochemical identifier: IMPHY014313

Phytochemical name: Ixoric acid

Synonymous chemical names:
ixoric acid

External chemical identifiers:
CID:14583652

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Chemical structure information

SMILES:
CCC/C=C/C=CC=C/C=CCCCCCCC(=O)O

InChI:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h4-11H,2-3,12-17H2,1H3,(H,19,20)/b5-4+,7-6-,9-8-,11-10-

InChIKey:
FCQPVKRMQXBSAO-GGBIPKAMSA-N

DeepSMILES:
CCC/C=C/C=CC=C/C=CCCCCCCC=O)O

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

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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: Fatty Acids and Conjugates, Octadecanoids

NP Classifier Class: Other Octadecanoids, Unsaturated fatty acids

NP-Likeness score: 1.232

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Chemical structure download