Summary

IMPPAT Phytochemical identifier: IMPHY003268

Phytochemical name: 5-Ethoxydihydro-2(3H)-furanone

Synonymous chemical names:
5-ethoxy-4,5-dihydro-2(3h)furanone

External chemical identifiers:
CID:356063, ChEBI:87307, SureChEMBL:SCHEMBL2317576

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Chemical structure information

SMILES:
CCOC1CCC(=O)O1

InChI:
InChI=1S/C6H10O3/c1-2-8-6-4-3-5(7)9-6/h6H,2-4H2,1H3

InChIKey:
RGFKJRWDZOGFEG-UHFFFAOYSA-N

DeepSMILES:
CCOCCCC=O)O5

Functional groups:
COC1CCC(=O)O1

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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: 1.576

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Chemical structure download