Marvin  08270915082D          

 23 24  0  0  1  0            999 V2000
   -2.4403    0.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295    0.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0034    0.4144    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.9883   -0.4105    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2927    0.8438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2622   -0.8096    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6952   -0.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4296    0.4409    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4447   -0.3839    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2546   -1.6345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1289    0.8629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1632   -0.7944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    0.4599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8587   -0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581    0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5771   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2765    0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -0.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0064   -0.7527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1548    0.7926    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8692    0.3801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1548    1.6176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3683   -0.0043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  1  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  6  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  1  0  0  0
  8 11  1  1  0  0  0
  9 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
  8  9  1  0  0  0  0
 17 18  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <ID>
CHEBI:2807

> <NAME>
arbutin 6-phosphate

> <DEFINITION>
A β-D-glucoside compound having a phosphate group at the 6-position and a 4-hydroxyphenyl substituent at the 1-position.

> <STAR>
3

> <SYNONYM>
Arbutin-6P; Arbutin 6-phosphate

> <IUPAC_NAME>
4-hydroxyphenyl 6-O-phosphono-beta-D-glucopyranoside

> <FORMULA>
C12H17O10P

> <MASS>
352.23110

> <MONOISOTOPIC_MASS>
352.05593

> <CHARGE>
0

> <SMILES>
O[C@H]1[C@H](O)[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)Oc1ccc(O)cc1

> <INCHI>
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

> <INCHIKEY>
FBHYCDOVYMVLEN-RMPHRYRLSA-N

> <KEGG_COMPOUND_ACCESSION>
C06187

$$$$