Marvin  02181310372D          

 16 15  0  0  1  0            999 V2000
   16.0510  -21.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2068  -22.1711    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8950  -23.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7392  -21.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7392  -20.1796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5831  -23.5051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4452  -20.1797    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2891  -22.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1334  -21.5136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8303  -21.5282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9945  -23.5154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9861  -22.1857    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   14.8950  -22.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5831  -22.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4452  -21.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6435  -20.9114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4 13  1  0  0  0  0
 13  1  1  0  0  0  0
  4 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15  8  1  0  0  0  0
  1  2  1  0  0  0  0
 13  3  1  1  0  0  0
  4  5  2  0  0  0  0
 14  6  1  6  0  0  0
 15  7  1  1  0  0  0
  8  9  1  0  0  0  0
  9 12  1  0  0  0  0
 12 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12 16  1  0  0  0  0
M  END
> <ID>
CHEBI:27973

> <NAME>
D-arabino-hex-3-ulose 6-phosphate

> <STAR>
3

> <SECONDARY_ID>
CHEBI:1644; CHEBI:20174

> <SYNONYM>
D-arabino-6-Phospho-hex-3-ulose; D-Arabino-3-hexulose, 6-(dihydrogen phosphate); D-arabino-3-Hexulose 6-phosphate; Arabino-3-hexulose-6-phosphate; A-3-H-6-P; 6-O-phosphono-D-arabino-hex-3-ulose

> <IUPAC_NAME>
D-arabino-hex-3-ulose 6-(dihydrogen phosphate)

> <FORMULA>
C6H13O9P; C6H13O9P

> <MASS>
260.13580

> <MONOISOTOPIC_MASS>
260.02972

> <CHARGE>
0

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

> <INCHI>
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-4,6-9,11H,1-2H2,(H2,12,13,14)/t3-,4-,6-/m1/s1

> <INCHIKEY>
UZYFNQCWJLIAKE-ZMIZWQJLSA-N

> <CAS_REGISTRY_NUMBER>
53010-97-2

> <CHEMIDPLUS>
53010-97-2

> <KEGG_COMPOUND_ACCESSION>
C06019

$$$$