LMPK12110722
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
   16.1527   10.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1527    9.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0697    8.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9868    9.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9868   10.3905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0697   10.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2355    8.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3184    9.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4012    8.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4012    7.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3184    7.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2355    7.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    9.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5669    8.8019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5669    7.7429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    7.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3184    6.2913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6498    9.3314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4841    6.3329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8927   10.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7244    8.9057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3672    6.8966    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   10.1364    6.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854    6.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3672    6.0444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3688    7.8265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4247    8.1836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7657   10.0421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3462   10.4410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0589   11.5486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6797    9.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0393    8.7558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0651    8.9361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7358    9.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762   10.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0467   11.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 16 19  1  0  0  0  0
  5 20  1  0  0  0  0
  4 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 18  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
 26 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110722

> <COMMON_NAME>
Luteorin 7-(2''-sulfatoglucoside)

> <SYSTEMATIC_NAME>
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-[(2-O-sulfo-beta-D-glucopyranosyl)oxy] -4H-1-benzopyran-4-one

> <FORMULA>
C21H20O14S

> <MASS>
528.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Thalassiolin A

> <INCHI_KEY>
RADMEXUHLCJBEW-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H20O14S/c22-7-16-18(27)19(28)20(35-36(29,30)31)21(34-16)32-9-4-12(25)17-13(26)6-14(33-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-28H,7H2,(H,29,30,31)/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=CC(O[C@H]3[C@H](OS(O)(=O)=O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5493604

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4773

> <CITATION>
-

$$$$