Summary

IMPPAT Phytochemical identifier: IMPHY008920

Phytochemical name: Artemisyl acetate

Synonymous chemical names:
artemisyl acetate

External chemical identifiers:
CID:524254, ChEBI:172059

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Chemical structure information

SMILES:
C=CC(C(C=C(C)C)OC(=O)C)(C)C

InChI:
InChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3

InChIKey:
NGIKFWJEQGLTBM-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=CC)C)))OC=O)C))))C)C

Functional groups:
C=CC, CC=C(C)C, COC(C)=O

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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 acid derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.217

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Chemical structure download