Summary

IMPPAT Phytochemical identifier: IMPHY015102

Phytochemical name: Tritriacontane-12,14-dione

Synonymous chemical names:
tritriacontane-12,14-dione

External chemical identifiers:
CID:71373292

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Chemical structure information

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

InChI:
InChI=1S/C33H64O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-33(35)31-32(34)29-27-25-23-21-12-10-8-6-4-2/h3-31H2,1-2H3

InChIKey:
IXYSMBBIFVNPAB-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCC=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: 0.397

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Chemical structure download