Summary

IMPPAT Phytochemical identifier: IMPHY017779

Phytochemical name: 1,2-Epoxymenthyl acetate

Synonymous chemical names:
1,2-epoxy menthyl acetate

External chemical identifiers:
CID:85239073

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Chemical structure information

SMILES:
CC(=O)OC1C(CCC2(C1O2)C)C(C)C

InChI:
InChI=1S/C12H20O3/c1-7(2)9-5-6-12(4)11(15-12)10(9)14-8(3)13/h7,9-11H,5-6H2,1-4H3

InChIKey:
SSOQZEPUQWJEIF-UHFFFAOYSA-N

DeepSMILES:
CC=O)OCCCCCC6O3))C))))CC)C

Functional groups:
CC1OC1(C)C, COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2OC2C1

Scaffold Graph/Node level:
C1CCC2OC2C1

Scaffold Graph level:
C1CCC2CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxepanes

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 3.03

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Chemical structure download