Summary

IMPPAT Phytochemical identifier: IMPHY004886

Phytochemical name: 8-Hydroxynonanoic acid

Synonymous chemical names:
8-hydroxynonanoic acid

External chemical identifiers:
CID:5312792, SureChEMBL:SCHEMBL1882219

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Chemical structure information

SMILES:
CC(CCCCCCC(=O)O)O

InChI:
InChI=1S/C9H18O3/c1-8(10)6-4-2-3-5-7-9(11)12/h8,10H,2-7H2,1H3,(H,11,12)

InChIKey:
ZQGUXJLCOPSLHD-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)O))))))))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Medium-chain hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.255

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Chemical structure download