Summary

IMPPAT Phytochemical identifier: IMPHY013129

Phytochemical name: Hentriacontane-12,14-dione

Synonymous chemical names:
hentriacontane-12,14-dione

External chemical identifiers:
CID:13915233, ZINC:ZINC000085831355, SureChEMBL:SCHEMBL5527257

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCC(=O)CC(=O)CCCCCCCCCCC

InChI:
InChI=1S/C31H60O2/c1-3-5-7-9-11-13-14-15-16-17-18-20-22-24-26-28-31(33)29-30(32)27-25-23-21-19-12-10-8-6-4-2/h3-29H2,1-2H3

InChIKey:
TUCPQKBGXOCQMS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)CC=O)CCCCCCCCCCC

Functional groups:
CC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 0.421

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Chemical structure download