Summary

IMPPAT Phytochemical identifier: IMPHY006535

Phytochemical name: Isolinalyl acetate

Synonymous chemical names:
isolinalyl acetate

External chemical identifiers:
CID:6430744

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Chemical structure information

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

InChI:
InChI=1S/C12H20O2/c1-6-12(5,14-11(4)13)9-7-8-10(2)3/h6H,1-2,7-9H2,3-5H3

InChIKey:
RHPYMJUXEXERLP-UHFFFAOYSA-N

DeepSMILES:
C=CCOC=O)C)))CCCC=C)C)))))C

Functional groups:
C=C(C)C, C=CC, 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: 1.948

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Chemical structure download