Summary

IMPPAT Phytochemical identifier: IMPHY017385

Phytochemical name: cis-6-Nonenyl Acetate

Synonymous chemical names:
(z)-6-nonenyl acetate

External chemical identifiers:
CID:5363389, ZINC:ZINC000033839808, FDASRS:F422N6Z0L0, SureChEMBL:SCHEMBL3754151

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Chemical structure information

SMILES:
CC/C=CCCCCCOC(=O)C

InChI:
InChI=1S/C11H20O2/c1-3-4-5-6-7-8-9-10-13-11(2)12/h4-5H,3,6-10H2,1-2H3/b5-4-

InChIKey:
DFRXMRZQBMFKMI-PLNGDYQASA-N

DeepSMILES:
CC/C=CCCCCCOC=O)C

Functional groups:
C/C=CC, COC(C)=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 alcohol esters

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Wax monoesters

NP-Likeness score: 1.641

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Chemical structure download