Summary

IMPPAT Phytochemical identifier: IMPHY016487

Phytochemical name: 8-Hydroxy-2-octanone

Synonymous chemical names:
8-hydroxy-2-octanone

External chemical identifiers:
CID:537397, SureChEMBL:SCHEMBL2525609

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Chemical structure information

SMILES:
OCCCCCCC(=O)C

InChI:
InChI=1S/C8H16O2/c1-8(10)6-4-2-3-5-7-9/h9H,2-7H2,1H3

InChIKey:
UMDPPTMXBUCHCM-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCC=O)C

Functional groups:
CC(C)=O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols, Oxygenated hydrocarbons

NP-Likeness score: 1.104

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Chemical structure download