Summary

IMPPAT Phytochemical identifier: IMPHY013659

Phytochemical name: 23-Methyl-3-dotriacontanone

Synonymous chemical names:
23-methyl-dotriacontan-3-one

External chemical identifiers:
CID:129688936

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Chemical structure information

SMILES:
CCCCCCCCCC(CCCCCCCCCCCCCCCCCCCC(=O)CC)C

InChI:
InChI=1S/C33H66O/c1-4-6-7-8-20-23-26-29-32(3)30-27-24-21-18-16-14-12-10-9-11-13-15-17-19-22-25-28-31-33(34)5-2/h32H,4-31H2,1-3H3

InChIKey:
FAEVEQFFTGIUPM-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)CC))))))))))))))))))))))C

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: 0.518

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Chemical structure download