Summary

IMPPAT Phytochemical identifier: IMPHY016513

Phytochemical name: Oxalic acid, allyl tridecyl ester

Synonymous chemical names:
allyltridecyloxalic acid ester

External chemical identifiers:
CID:6420234

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Chemical structure information

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

InChI:
InChI=1S/C18H32O4/c1-3-5-6-7-8-9-10-11-12-13-14-16-22-18(20)17(19)21-15-4-2/h4H,2-3,5-16H2,1H3

InChIKey:
ABOHRPBSLWQROV-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCOC=O)C=O)OCC=C

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

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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: 0.2

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Chemical structure download