Summary

IMPPAT Phytochemical identifier: IMPHY015362

Phytochemical name: (3z)-Hexenol

Synonymous chemical names:
(3z)-hexenol

External chemical identifiers:
CID:10057450

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Chemical structure information

SMILES:
CCCC/C=CO

InChI:
InChI=1S/C6H12O/c1-2-3-4-5-6-7/h5-7H,2-4H2,1H3/b6-5-

InChIKey:
JHEPBQHNVNUAFL-WAYWQWQTSA-N

DeepSMILES:
CCCC/C=CO

Functional groups:
C/C=CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Enols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.948

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Chemical structure download