Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018060

Phytochemical name: (Z)-2-Heptenyl acetate

Synonymous chemical names:
(Z)-2-Heptenyl acetate

External chemical identifiers:
CID:CID_12794028

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Chemical structure information

SMILES:
CCCC/C=C\COC(=O)C

InChI:
InChI=1S/C9H16O2/c1-3-4-5-6-7-8-11-9(2)10/h6-7H,3-5,8H2,1-2H3/b7-6-

InChIKey:
AWCPMVVOGVEPRC-SREVYHEPSA-N

DeepSMILES:
CCCC/C=C\COC=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: 1.825

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Chemical structure download