Summary

IMPPAT Phytochemical identifier: IMPHY000959

Phytochemical name: 6-O-alpha-D-Galactopyranosyl-D-mannose

Synonymous chemical names:
6-o-alpha-d-galactopyranosyl-d-mannose

External chemical identifiers:
CID:44148106

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Chemical structure information

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

InChI:
InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h1,4-12,14-21H,2-3H2/t4-,5-,6-,7-,8-,9+,10+,11-,12+/m1/s1

InChIKey:
AYRXSINWFIIFAE-KVOYSHJESA-N

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

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

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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 acyl glycosides

NP Classifier Biosynthetic pathway: Carbohydrates

NP Classifier Superclass: Saccharides

NP Classifier Class: Disaccharides

NP-Likeness score: 2.495

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Chemical structure download