ChEBI
  Marvin  03210715422D          

 24 25  0  0  1  0            999 V2000
   11.1743   -6.5584    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858   -6.1425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4593   -6.1425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1743   -7.3834    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6009   -6.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7409   -6.5584    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4593   -7.7959    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.8858   -7.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158   -6.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6009   -7.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7409   -7.3834    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0260   -6.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4593   -8.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0240   -6.5516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158   -5.3175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3158   -7.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0260   -7.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0240   -7.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0308   -4.9050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3075   -6.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4825   -5.7334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6575   -6.5584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4825   -6.5584    0.0000 P   0  0  3  0  0  0  0  0  0  0  0  0
    7.4825   -7.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  1  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  6  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  1  0  0  0
  7 13  1  1  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 17  1  6  0  0  0
 12 20  1  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
  7 11  1  0  0  0  0
 16 18  2  0  0  0  0
 20 23  1  0  0  0  0
 23 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <ID>
CHEBI:9003

> <NAME>
salicin 6-phosphate

> <DEFINITION>
A glycoside phosphate that is salicin bearing an O-phospho group at position 6.

> <STAR>
3

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

> <IUPAC_NAME>
2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside

> <FORMULA>
C13H19O10P

> <MASS>
366.25772

> <MONOISOTOPIC_MASS>
366.07158

> <CHARGE>
0

> <SMILES>
OCc1ccccc1O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O

> <INCHI>
InChI=1S/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)/t9-,10-,11+,12-,13-/m1/s1

> <INCHIKEY>
FSJKOMDYZYBBLV-UJPOAAIJSA-N

> <KEGG_COMPOUND_ACCESSION>
C06188

> <METACYC_ACCESSION>
CPD-1181

$$$$