Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID013272

Phytochemical name: Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate

Synonymous chemical names:
Z-(13,14-Epoxy)tetradec-11-en-1-ol acetate, z-(13,14-epoxy)tetradec-11-en-1-ol acetate

External chemical identifiers:
CID:CID_5363633

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Chemical structure information

SMILES:
CC(=O)OCCCCCCCCCC/C=C\C1OC1

InChI:
InChI=1S/C16H28O3/c1-15(17)18-13-11-9-7-5-3-2-4-6-8-10-12-16-14-19-16/h10,12,16H,2-9,11,13-14H2,1H3/b12-10-

InChIKey:
SSNSHVODQWMOJI-BENRWUELSA-N

DeepSMILES:
CC=O)OCCCCCCCCCC/C=C\COC3

Functional groups:
COC(C)=O, C/C=C\C1CO1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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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: 1.347

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Chemical structure download