Summary

IMPPAT Phytochemical identifier: IMPHY016118

Phytochemical name: Hexenol, acetate, (Z)-

Synonymous chemical names:
(z)-hexen-1-ol acetate

External chemical identifiers:
CID:71332910

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Chemical structure information

SMILES:
CC(=O)O.CCCCC=CO

InChI:
InChI=1S/C6H12O.C2H4O2/c1-2-3-4-5-6-7;1-2(3)4/h5-7H,2-4H2,1H3;1H3,(H,3,4)

InChIKey:
CDMPNYVFOOFIEA-UHFFFAOYSA-N

DeepSMILES:
CC=O)O.CCCCC=CO

Functional groups:
CC(=O)O, CC=CO

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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 acids

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Unsaturated fatty acids

NP-Likeness score: 1.324

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Chemical structure download