Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018252

Phytochemical name: Cyclopentanecarboxylic acid, 2-acetyl-5-methyl-

Synonymous chemical names:
Cyclopentanecarboxylic acid, 2-acetyl-5-methyl-

External chemical identifiers:
CID:CID_538095

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Chemical structure information

SMILES:
CC(=O)C1CCC(C1C(=O)O)C

InChI:
InChI=1S/C9H14O3/c1-5-3-4-7(6(2)10)8(5)9(11)12/h5,7-8H,3-4H2,1-2H3,(H,11,12)

InChIKey:
SDZSRLJJHUZPEP-UHFFFAOYSA-N

DeepSMILES:
CC=O)CCCCC5C=O)O)))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Keto acids and derivatives

ClassyFire Subclass: Gamma-keto acids and derivatives

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Iridoids monoterpenoids

NP-Likeness score: 1.508

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Chemical structure download