Summary

IMPPAT Phytochemical identifier: IMPHY012614

Phytochemical name: Furfuryl formate

Synonymous chemical names:
furfuryl formate

External chemical identifiers:
CID:556916, FDASRS:6L99DDQ762, SureChEMBL:SCHEMBL766361

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Chemical structure information

SMILES:
O=COCc1ccco1

InChI:
InChI=1S/C6H6O3/c7-5-8-4-6-2-1-3-9-6/h1-3,5H,4H2

InChIKey:
FPRQARNPKWVCNI-UHFFFAOYSA-N

DeepSMILES:
O=COCcccco5

Functional groups:
COC=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: Organoheterocyclic compounds

ClassyFire Class: Heteroaromatic compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.253

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Chemical structure download