LMPK12113195
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5781   12.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781   11.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   11.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2695   11.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2696   12.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   13.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1157   11.3210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9613   11.8094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9614   12.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1157   13.2744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1157   10.4590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8069   13.2740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6688   12.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5309   13.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5307   14.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6688   14.7672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8069   14.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.2740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9679   11.2574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3926   14.7671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   10.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6688   15.7624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4239   14.2506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8438   10.5596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1773    8.5859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6369    7.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3635    9.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1017    7.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356   10.2731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0735    9.9242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2394    8.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4692    8.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5313    8.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7611    8.0128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7965    8.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
  1 18  1  0  0  0  0
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 16 22  1  0  0  0  0
  6 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 34 35  2  0     0  0
M  END
> <LM_ID>
LMPK12113195

> <COMMON_NAME>
Gossypetin 3-glucuronide

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O14

> <MASS>
494.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WSYAMFPDJDZYOA-IZWLMICYSA-N

> <INCHI>
InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-18(12(27)10-8(24)4-9(25)11(26)17(10)33-16)34-21-15(30)13(28)14(29)19(35-21)20(31)32/h1-4,13-15,19,21-26,28-30H,(H,31,32)/t13-,14-,15+,19-,21+/m0/s1

> <SMILES>
C1(O)=C(O)C2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259994

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$