Summary

IMPPAT Phytochemical identifier: IMPHY010957

Phytochemical name: Digitalose

Synonymous chemical names:
d-digitalose

External chemical identifiers:
CID:192798, ChEBI:10368, ZINC:ZINC000006036925, FDASRS:6U8DD4P360, SureChEMBL:SCHEMBL182612

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Chemical structure information

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

InChI:
InChI=1S/C7H14O5/c1-4(9)6(11)7(12-2)5(10)3-8/h3-7,9-11H,1-2H3/t4-,5+,6+,7-/m1/s1

InChIKey:
MPQBLCRFUYGBHE-JRTVQGFMSA-N

DeepSMILES:
O=C[C@@H][C@H][C@H][C@H]O)C))O))OC)))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 Classifier Superclass: Saccharides

NP Classifier Class: Monosaccharides

NP-Likeness score: 1.842

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Chemical structure download