LMPK12111577
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5792    8.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5792    7.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4266    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2738    7.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2738    8.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4266    9.2944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1210    7.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9682    7.8269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9682    8.8053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1210    9.2944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8148    9.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7129    8.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6106    9.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6106   10.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7129   10.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8148   10.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1210    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5078   10.8488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5078    8.7761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8148    7.3381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7129   11.8851    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
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 13 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111577

> <COMMON_NAME>
Robinetin

> <SYSTEMATIC_NAME>
3,7,3',4',5'-Pentahydroxyflavone

> <FORMULA>
C15H10O7

> <MASS>
302.04

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SOEDEYVDCDYMMH-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O)C(=O)C=2C=C1

> <KEGG_ID>
C10177

> <HMDB_ID>
-

> <CHEBI_ID>
8876

> <ABBREVIATION>
-

> <CAYMAN_ID>
35272

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281692

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$