Summary

IMPPAT Phytochemical identifier: IMPHY014122

Phytochemical name: Mangiferic acid

Synonymous chemical names:
cis-9,cis-15-octadecadienoic acid

External chemical identifiers:
CID:6439027, ChEBI:170098, SureChEMBL:SCHEMBL2941425

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Chemical structure information

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

InChI:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,9-10H,2,5-8,11-17H2,1H3,(H,19,20)/b4-3+,10-9+

InChIKey:
AWGFYZFANDHELM-SCPMJEMWSA-N

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

Functional groups:
C/C=C/C, 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

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.041

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Chemical structure download