Summary

IMPPAT Phytochemical identifier: IMPHY003475

Phytochemical name: Xylobiose

Synonymous chemical names:
xylobiose

External chemical identifiers:
CID:439538, ChEBI:28309, MolPort-035-785-355

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Chemical structure information

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

InChI:
InChI=1S/C10H18O9/c11-3-1-18-10(8(15)5(3)12)19-4-2-17-9(16)7(14)6(4)13/h3-16H,1-2H2/t3-,4-,5+,6+,7-,8-,9?,10+/m1/s1

InChIKey:
LGQKSQQRKHFMLI-WSNPFVOISA-N

DeepSMILES:
O[C@@H]CO[C@H][C@@H][C@H]6O))O))O[C@@H]COC[C@@H][C@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CCCOC2)OC1

Scaffold Graph/Node level:
C1CCC(OC2CCCOC2)OC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)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 Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Disaccharides

NP-Likeness score: 2.273

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Chemical structure download