LMPK12113231
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.6007    8.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6007    7.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691    7.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376    7.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376    8.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2059    7.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0744    7.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0744    8.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2059    9.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2059    6.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9426    9.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8276    8.8573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7127    9.3684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7127   10.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8276   10.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9426   10.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9426    7.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691   10.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8276   11.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5976   10.9011    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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 21  1  0  0  0  0
 16 22  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113231

> <COMMON_NAME>
Gossypetin

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

> <FORMULA>
C15H10O8

> <MASS>
318.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRRAGUMVDQQZIY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,16-20,22H

> <SMILES>
C1(O)=C(O)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
C04109

> <HMDB_ID>
-

> <CHEBI_ID>
16400

> <ABBREVIATION>
-

> <CAYMAN_ID>
33840

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280647

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 34274

> <CITATION>
-

$$$$