Summary

IMPPAT Phytochemical identifier: IMPHY001070

Phytochemical name: Corchorifatty acid F

Synonymous chemical names:
corchorifatty acid f

External chemical identifiers:
CID:44559173, ChEMBL:CHEMBL469620, ChEBI:91218, MolPort-001-740-402

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Chemical structure information

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

InChI:
InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+

InChIKey:
MKYUCBXUUSZMQB-MKZMYESJSA-N

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

Functional groups:
C/C=C/C, C/C=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: 2.059

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Chemical structure download