Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005484

Phytochemical name: 3-Methyl-3-heptenal

Synonymous chemical names:
3-methyl-3-heptenal

External chemical identifiers:
CID:CID_5364732

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Chemical structure information

SMILES:
CCC/C=C(/CC)\C

InChI:
InChI=1S/C8H16/c1-4-6-7-8(3)5-2/h7H,4-6H2,1-3H3/b8-7+

InChIKey:
AAUHUDBDDBJONC-BQYQJAHWSA-N

DeepSMILES:
CCC/C=C/CC))\C

Functional groups:
C/C=C(/C)C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons, Oxygenated hydrocarbons

NP-Likeness score: 2.18

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Chemical structure download