Summary

IMPPAT Phytochemical identifier: IMPHY003072

Phytochemical name: (2R,3R,4S,5S,6R)-2-(furan-3-ylmethoxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Synonymous chemical names:
beta-furfuryl-beta-glucoside

External chemical identifiers:
CID:3086224

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OCc2cocc2)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C11H16O7/c12-3-7-8(13)9(14)10(15)11(18-7)17-5-6-1-2-16-4-6/h1-2,4,7-15H,3,5H2/t7-,8-,9+,10-,11-/m1/s1

InChIKey:
SPFOGLIFWSAONR-KAMPLNKDSA-N

DeepSMILES:
OC[C@H]O[C@@H]OCccocc5)))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CO, CO[C@@H](C)OC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc(COC2CCCCO2)co1

Scaffold Graph/Node level:
C1CCC(OCC2CCOC2)OC1

Scaffold Graph level:
C1CCC(CCC2CCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 2.065

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Chemical structure download