Summary

IMPPAT Phytochemical identifier: IMPHY013328

Phytochemical name: 2,3,6-Tri-o-methyl-d-glucose

Synonymous chemical names:
2,3,6-tri-o-methyl-d-glucose

External chemical identifiers:
CID:22212995, ZINC:ZINC000138256905, FDASRS:60HFA1PEK0, SureChEMBL:SCHEMBL5414118

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Chemical structure information

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

InChI:
InChI=1S/C9H18O6/c1-13-5-6(11)8(12)9(15-3)7(4-10)14-2/h4,6-9,11-12H,5H2,1-3H3/t6-,7+,8-,9-/m1/s1

InChIKey:
PWBXSZOZBWBLEW-BZNPZCIMSA-N

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

Functional groups:
CC=O, CO, COC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Carbohydrates

NP-Likeness score: 1.604

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Chemical structure download