44258151
  CDK     0908232200

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.4352   -2.1577    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    0.3173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   -1.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5638    2.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    2.7923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0939    0.2974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5787   -0.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208   -2.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8477   -2.8722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0227   -1.4433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2918    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0063    1.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7208    1.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    1.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4352   -0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    0.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497    0.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1497   -0.9202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    0.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8068    1.5720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641   -0.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8641    0.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0 
  1  8  1  0  0  0  0 
  1  9  2  0  0  0  0 
  1 10  2  0  0  0  0 
  2 12  1  0  0  0  0 
  2 13  1  0  0  0  0 
  3 21  1  0  0  0  0 
  4 17  1  0  0  0  0 
  5 15  2  0  0  0  0 
  6 22  1  0  0  0  0 
  7 24  1  0  0  0  0 
 11 13  1  0  0  0  0 
 11 15  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 14  1  0  0  0  0 
 12 16  2  0  0  0  0 
 13 19  2  0  0  0  0 
 14 18  2  0  0  0  0 
 14 20  1  0  0  0  0 
 15 16  1  0  0  0  0 
 17 23  1  0  0  0  0 
 18 21  1  0  0  0  0 
 19 22  1  0  0  0  0 
 20 25  2  0  0  0  0 
 21 24  2  0  0  0  0 
 22 23  2  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:197040

> <NAME>
Luteolin 3'-sulfate

> <STAR>
2

> <IUPAC_NAME>
[5-(5,7-dihydroxy-4-oxochromen-2-yl)-2-hydroxyphenyl] hydrogen sulate

> <FORMULA>
C15H10O9S

> <MASS>
366.300

> <MONOISOTOPIC_MASS>
366.00455

> <CHARGE>
0

> <SMILES>
S(OC=1C=C(C=2OC=3C(C(=O)C2)=C(O)C=C(O)C3)C=CC1O)(O)(=O)=O

> <INCHI>
InChI=1S/C15H10O9S/c16-8-4-10(18)15-11(19)6-12(23-14(15)5-8)7-1-2-9(17)13(3-7)24-25(20,21)22/h1-6,16-18H,(H,20,21,22)

> <INCHIKEY>
PEQKOWDFKUBMQH-UHFFFAOYSA-N

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110735

$$$$