Summary

IMPPAT Phytochemical identifier: IMPHY000562

Phytochemical name: Mannotriose

Synonymous chemical names:
mannotriose

Chemical structure information

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

InChI:
InChI=1S/C18H32O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h1,5-18,20-30H,2-4H2/t5-,6+,7+,8+,9?,10+,11-,12+,13-,14-,15?,16+,17-,18-/m0/s1

InChIKey:
RXVWSYJTUUKTEA-RXQMTUKPSA-N

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

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

NP-Likeness score: 2.147

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Chemical structure download