Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018210

Phytochemical name: Hexanediol

Synonymous chemical names:
Hexanediol

External chemical identifiers:
CID:CID_147023

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Chemical structure information

SMILES:
CCCCCC(O)O

InChI:
InChI=1S/C6H14O2/c1-2-3-4-5-6(7)8/h6-8H,2-5H2,1H3

InChIKey:
ACCCMOQWYVYDOT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCO)O

Functional groups:
CC(O)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 alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.315

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Chemical structure download