Summary

IMPPAT Phytochemical identifier: IMPHY012082

Phytochemical name: Gamma-nonalactone

Synonymous chemical names:
dihydro-5-pentyl-2(3h)-furanone (γ-nonalactone), gamma nonalactone, gamma-nonalactone, nonalactone, gamma, γ-nonalactone

External chemical identifiers:
CID:7710, ChEMBL:CHEMBL191935, FDASRS:I1XGH66S8P, SureChEMBL:SCHEMBL112484, MolPort-000-856-082

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Chemical structure information

SMILES:
CCCCCC1CCC(=O)O1

InChI:
InChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3

InChIKey:
OALYTRUKMRCXNH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCC=O)O5

Functional groups:
COC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCO1

Scaffold Graph/Node level:
OC1CCCO1

Scaffold Graph level:
CC1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Gamma butyrolactones

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty esters

NP Classifier Class: Lactones

NP-Likeness score: 2.02

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Chemical structure download