Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-17 23:51:35 UTC
Update Date2022-08-31 17:38:56 UTC
Metabolite IDMMDBc0030038
Metabolite Identification
Common NameArbutin 6-phosphate
DescriptionArbutin 6-phosphate is a member of the chemical class known as Hexose phosphates. These are phospho-monosaccharides in which the sugar unit is a hexose.
Structure
Synonyms
ValueSource
Arbutin-6PChEBI
Arbutin 6-phosphoric acidGenerator
Molecular FormulaC12H17O10P
Average Mass352.2311
Monoisotopic Mass352.055933276
IUPAC Name{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxyphenoxy)oxan-2-yl]methoxy}phosphonic acid
Traditional Namearbutin-6P
CAS Registry NumberNot Available
SMILES
[H][C@]1(COP(O)(O)=O)O[C@@]([H])(OC2=CC=C(O)C=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
InChI Identifier
InChI=1S/C12H17O10P/c13-6-1-3-7(4-2-6)21-12-11(16)10(15)9(14)8(22-12)5-20-23(17,18)19/h1-4,8-16H,5H2,(H2,17,18,19)/t8-,9-,10+,11-,12-/m1/s1
InChI KeyFBHYCDOVYMVLEN-RMPHRYRLSA-N