LMPK12130003
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
   13.3482    7.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3482    8.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4799    8.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    8.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6117    7.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4799    6.7830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3016    6.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8908    7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3016    8.5966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7434    8.7881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6294    7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1073    7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6095    6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6136    6.9159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1157    7.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6136    8.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6095    8.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1182    7.7855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5429    6.0740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7295    6.8208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0185    5.8492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3268    6.8447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0393    8.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5863    8.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8906    8.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8836    7.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0254    6.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1796    7.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1866    8.3142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3407    8.8121    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  4 10  1  0  0  0  0
  8 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  7 19  2  0  0  0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  1     0  0
 25 10  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPK12130003

> <COMMON_NAME>
Hispidol 6-glucoside

> <SYSTEMATIC_NAME>
6,4'-Dihydroxyaurone 6-glucoside

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Aurone flavonoids [PK1213]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GVRZCIYFKOQSQL-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H20O9/c22-9-16-18(25)19(26)20(27)21(30-16)28-12-5-6-13-14(8-12)29-15(17(13)24)7-10-1-3-11(23)4-2-10/h1-8,16,18-23,25-27H,9H2/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607740

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
-

$$$$