Summary

IMPPAT Phytochemical identifier: IMPHY015881

Phytochemical name: Pentadec-8-en-2-one

Synonymous chemical names:
pentadec-8-en-2-one

External chemical identifiers:
CID:54551543

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Chemical structure information

SMILES:
CCCCCCC=CCCCCCC(=O)C

InChI:
InChI=1S/C15H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h8-9H,3-7,10-14H2,1-2H3

InChIKey:
ZKFXKERVFKDOLF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC=CCCCCCC=O)C

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

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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: 1.105

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Chemical structure download