Summary

IMPPAT Phytochemical identifier: IMPHY016759

Phytochemical name: Mint furanone I

Synonymous chemical names:
mintfuranone

External chemical identifiers:
CID:91753282

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Chemical structure information

SMILES:
CC1CCC2=C(C(=O)CC2C1)C

InChI:
InChI=1S/C11H16O/c1-7-3-4-10-8(2)11(12)6-9(10)5-7/h7,9H,3-6H2,1-2H3

InChIKey:
ZTLFUUKHQXBDDM-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC=O)CC5C9))))C

Functional groups:
CC1=C(C)C(=O)CC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2CCCCC2C1

Scaffold Graph/Node level:
OC1CC2CCCCC2C1

Scaffold Graph level:
CC1CC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.793

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Chemical structure download