Summary

IMPPAT Phytochemical identifier: IMPHY009811

Phytochemical name: (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-1-[(3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]hexan-1-one

Synonymous chemical names:
xylosyl glucose

External chemical identifiers:
CID:54070565

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Chemical structure information

SMILES:
OC[C@H]([C@H]([C@@H]([C@H](C(=O)C1OC[C@H]([C@@H]([C@H]1O)O)O)O)O)O)O

InChI:
InChI=1S/C11H20O10/c12-1-3(13)5(15)7(17)8(18)10(20)11-9(19)6(16)4(14)2-21-11/h3-9,11-19H,1-2H2/t3-,4-,5-,6+,7+,8-,9-,11?/m1/s1

InChIKey:
MGDBDYSQAXSLKB-QJDGVKNDSA-N

DeepSMILES:
OC[C@H][C@H][C@@H][C@H]C=O)COC[C@H][C@@H][C@H]6O))O))O))))))O))O))O))O

Functional groups:
CC(C)=O, CO, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCOCC1

Scaffold Graph/Node level:
C1CCOCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Disaccharides

NP-Likeness score: 1.693

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Chemical structure download