Summary

IMPPAT Phytochemical identifier: IMPHY011728

Phytochemical name: Allitol

Synonymous chemical names:
d-allitol

External chemical identifiers:
CID:120700, ZINC:ZINC000017836367, FDASRS:B3F996O6JU, SureChEMBL:SCHEMBL15545455, MolPort-019-999-274

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Chemical structure information

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

InChI:
InChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5-,6+

InChIKey:
FBPFZTCFMRRESA-FBXFSONDSA-N

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

Functional groups:
CO

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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: Monosaccharides

NP-Likeness score: 1.143

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Chemical structure download