Summary

IMPPAT Phytochemical identifier: IMPHY003395

Phytochemical name: 4-Hydroxy-5-methylfuran-3-carboxylic acid

Synonymous chemical names:
4-hydroxy-5-methylfuran-3-carboxylic acid

External chemical identifiers:
CID:42614008

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Chemical structure information

SMILES:
OC(=O)c1coc(c1O)C

InChI:
InChI=1S/C6H6O4/c1-3-5(7)4(2-10-3)6(8)9/h2,7H,1H3,(H,8,9)

InChIKey:
FZNMBBPKZSTVOR-UHFFFAOYSA-N

DeepSMILES:
OC=O)ccocc5O))C

Functional groups:
cC(=O)O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Furans

ClassyFire Subclass: Furoic acid and derivatives

NP-Likeness score: 0.748

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Chemical structure download