Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID015891

Phytochemical name: Butyl fructofuranoside

Synonymous chemical names:
n-butyl-alpha-d-fructofuranoside

External chemical identifiers:
CID:CID_13386213, ChEMBL:CHEMBL1761960, SureChEMBL:SCHEMBL11033703

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Chemical structure information

SMILES:
CCCCO[C@]1(CO)O[C@@H]([C@H]([C@@H]1O)O)CO

InChI:
InChI=1S/C10H20O6/c1-2-3-4-15-10(6-12)9(14)8(13)7(5-11)16-10/h7-9,11-14H,2-6H2,1H3/t7-,8-,9+,10-/m1/s1

InChIKey:
XRGRZXPJJVQDJO-DOLQZWNJSA-N

DeepSMILES:
CCCCO[C@]CO))O[C@@H][C@H][C@@H]5O))O))CO

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

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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: Carbohydrates and carbohydrate conjugates

NP-Likeness score: 1.988

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Chemical structure download