LMPK12111605
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.6008    8.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6008    7.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4693    7.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3378    7.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3378    8.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4693    9.1483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2062    7.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0747    7.6438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0747    8.6468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2062    9.1483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2062    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9429    9.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8282    8.6369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7134    9.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7134   10.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8282   10.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9429   10.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9429    7.1427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.1481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5982   10.6810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8282   11.7031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4693   10.1507    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
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  6 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111605

> <COMMON_NAME>
Melanoxetin

> <SYSTEMATIC_NAME>
3,7,8,3',4'-Pentahydroxyflavone

> <FORMULA>
C15H10O7

> <MASS>
302.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RHTZDFORBKRGQU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H10O7/c16-8-3-1-6(5-10(8)18)14-13(21)11(19)7-2-4-9(17)12(20)15(7)22-14/h1-5,16-18,20-21H

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15560442

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3808

> <CITATION>
-

$$$$