Summary

IMPPAT Phytochemical identifier: IMPHY009384

Phytochemical name: 5-(Ethoxymethyl)furan-2-carbaldehyde

Synonymous chemical names:
5-ethoxy-methyl-furfural, furfural,5-(ethoxy-methyl)

External chemical identifiers:
CID:12648080, ZINC:ZINC000016942835, FDASRS:0826YO734G, SureChEMBL:SCHEMBL273028, MolPort-018-568-855

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Chemical structure information

SMILES:
CCOCc1ccc(o1)C=O

InChI:
InChI=1S/C8H10O3/c1-2-10-6-8-4-3-7(5-9)11-8/h3-5H,2,6H2,1H3

InChIKey:
CCDRPZFMDMKZSZ-UHFFFAOYSA-N

DeepSMILES:
CCOCcccco5)C=O

Functional groups:
COC, cC=O, 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: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.378

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Chemical structure download