Summary

IMPPAT Phytochemical identifier: IMPHY015635

Phytochemical name: (E)-Hept-3-enyl acetate

Synonymous chemical names:
(e)-3-heptenyl acetate

External chemical identifiers:
CID:5363206, ChEBI:171759, ZINC:ZINC000001995292, FDASRS:R6VN5HBW4C, SureChEMBL:SCHEMBL3086446

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Chemical structure information

SMILES:
CCC/C=C/CCOC(=O)C

InChI:
InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h5-6H,3-4,7-8H2,1-2H3/b6-5+

InChIKey:
AAYIYWGTGAUKQY-AATRIKPKSA-N

DeepSMILES:
CCC/C=C/CCOC=O)C

Functional groups:
C/C=C/C, COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Carboxylic acids and derivatives

ClassyFire Subclass: Carboxylic acid derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.365

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Chemical structure download