Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000363

Phytochemical name: Mannitol

Synonymous chemical names:
d-mannitol, mannitol, mannitol, d-, mannite

External chemical identifiers:
CID:CID_6251, ChEMBL:CHEMBL689, ChEBI:CHEBI:16899, ZINC:ZINC000002041302, FDASRS:3OWL53L36A, SureChEMBL:SCHEMBL919, MolPort-003-927-039

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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-/m1/s1

InChIKey:
FBPFZTCFMRRESA-KVTDHHQDSA-N

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

Functional groups:
CO

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS119601, MSBNK-RIKEN-PR100904, MSBNK-RIKEN_ReSpect-PS119607, MSBNK-MPI_for_Chemical_Ecology-CE000236, MSBNK-Osaka_Univ-OUF00344

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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