Summary

IMPPAT Phytochemical identifier: IMPHY017438

Phytochemical name: Ethyl 3-acetoxybutanoate

Synonymous chemical names:
ethyl 3-acetoxybutyrate

External chemical identifiers:
CID:537574, SureChEMBL:SCHEMBL5083575

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Chemical structure information

SMILES:
CCOC(=O)CC(OC(=O)C)C

InChI:
InChI=1S/C8H14O4/c1-4-11-8(10)5-6(2)12-7(3)9/h6H,4-5H2,1-3H3

InChIKey:
JFWYJXYRFBRWSH-UHFFFAOYSA-N

DeepSMILES:
CCOC=O)CCOC=O)C)))C

Functional groups:
COC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acid esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 0.852

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Chemical structure download