Summary

IMPPAT Phytochemical identifier: IMPHY017226

Phytochemical name: Hept-5-en-2-one

Synonymous chemical names:
hept-5-en-2-one

External chemical identifiers:
CID:23178

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Chemical structure information

SMILES:
CC=CCCC(=O)C

InChI:
InChI=1S/C7H12O/c1-3-4-5-6-7(2)8/h3-4H,5-6H2,1-2H3

InChIKey:
RTYRONIMTRDBLT-UHFFFAOYSA-N

DeepSMILES:
CC=CCCC=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: 2.096

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Chemical structure download