Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018113

Phytochemical name: 4E-Dodecenyl acetate

Synonymous chemical names:
4E-Dodecenyl acetate

External chemical identifiers:
CID:CID_5352885

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Chemical structure information

SMILES:
CCCCCCC/C=C/CCCOC(=O)C

InChI:
InChI=1S/C14H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-16-14(2)15/h9-10H,3-8,11-13H2,1-2H3/b10-9+

InChIKey:
HVFBMRUBJRAFIN-MDZDMXLPSA-N

DeepSMILES:
CCCCCCC/C=C/CCCOC=O)C

Functional groups:
C/C=C/C, 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: 1.206

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Chemical structure download