Marvin  06201114162D          

 16 16  0  0  1  0            999 V2000
   10.1126   -4.4044    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3982   -4.8169    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6838   -4.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3982   -5.6419    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6838   -6.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8271   -5.6419    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5415   -6.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1126   -6.0544    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1126   -6.8793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8271   -4.8169    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5415   -4.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1126   -3.5794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694   -4.8169    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.2549   -4.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9694   -5.6419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1829   -4.0200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  4  8  1  0  0  0  0
  8  6  1  0  0  0  0
  6 10  1  0  0  0  0
  1 12  1  1  0  0  0
  2  3  1  1  0  0  0
  4  5  1  1  0  0  0
  6  7  1  1  0  0  0
  8  9  1  6  0  0  0
 10 11  1  6  0  0  0
  3 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
M  END
> <ID>
CHEBI:62383

> <NAME>
1D-myo-inositol 2-phosphate

> <DEFINITION>
A myo-inositol monophosphate in which the phosphate group is located at the 2-position.

> <STAR>
3

> <SYNONYM>
myo-inositol 2-phosphate; myo-Inositol 2-monophosphate; Inositol 2-phosphate; Inositol 2-monophosphate

> <IUPAC_NAME>
1D-myo-inositol 2-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P

> <MASS>
260.13580

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4+,5-,6+

> <INCHIKEY>
INAPMGSXUVUWAF-QWBQGLJISA-N

> <CAS_REGISTRY_NUMBER>
7336-80-3

> <REAXYS_REGISTRY_NUMBER>
2467378

> <CHEMIDPLUS>
7336-80-3

> <METACYC_ACCESSION>
CPD-6746

> <PUBMED_CITATION>
15941305; 2450138; 8799493; 9008842

$$$$