Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014964

Phytochemical name: Oxalic acid, allyl pentadecyl ester

Synonymous chemical names:
allyl pentadecyl ester oxalic acid

External chemical identifiers:
CID:CID_6420235

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCOC(=O)C(=O)OCC=C

InChI:
InChI=1S/C20H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-24-20(22)19(21)23-17-4-2/h4H,2-3,5-18H2,1H3

InChIKey:
QEGZQYNEAYSNMK-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCOC=O)C=O)OCC=C

Functional groups:
COC(=O)C(=O)OC, C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.183

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Chemical structure download