Summary

IMPPAT Phytochemical identifier: IMPHY017768

Phytochemical name: Heptyl formate

Synonymous chemical names:
heptyl formate

External chemical identifiers:
CID:8169, ChEMBL:CHEMBL2270392, ZINC:ZINC000002041055, FDASRS:PU6O623G48, SureChEMBL:SCHEMBL93149

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Chemical structure information

SMILES:
CCCCCCCOC=O

InChI:
InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3

InChIKey:
XEAMDSXSXYAICO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCOC=O

Functional groups:
COC=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: 0.787

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Chemical structure download