LMPK12113199
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    8.2602    8.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2602    7.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    7.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0252    7.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0252    8.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    9.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    7.0859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7903    7.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7903    8.6144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    9.1239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9078    6.2007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6723    9.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5719    8.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4715    9.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4715   10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5719   10.6817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6723   10.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3780    9.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    6.2541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6723    7.0860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5719   11.7199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3980   10.6683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428   10.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5525   11.2729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7364   13.2156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5076   14.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1220   11.5201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0145   13.8649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2332   11.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4381   11.6769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5316   12.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4172   13.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2123   12.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0978   12.8933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9396   12.4016    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
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  8  9  2  0  0  0  0
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 10  5  1  0  0  0  0
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  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 16 21  1  0  0  0  0
 15 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 23  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>
LMPK12113199

> <COMMON_NAME>
Gossypetin

> <SYSTEMATIC_NAME>
3,5,7,8,3',4'-Hexahydroxyflavone 8-glucuronide

> <FORMULA>
C21H18O14

> <MASS>
494.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
[2-(3,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4-oxo-4H-1-benzopyran-8-yl] beta-D-glucopyranosiduronic acid

> <INCHI_KEY>
KHVMAMXQPVHXTJ-ORYXKJSJSA-N

> <INCHI>
InChI=1S/C21H18O14/c22-6-2-1-5(3-7(6)23)16-13(28)11(26)10-8(24)4-9(25)17(18(10)33-16)34-21-15(30)12(27)14(29)19(35-21)20(31)32/h1-4,12,14-15,19,21-25,27-30H,(H,31,32)/t12-,14-,15+,19-,21+/m0/s1

> <SMILES>
C1(O)=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5490334

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1663613

> <CITATION>
-

$$$$