LMPK12050331
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 V2000
    7.1003   10.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1003    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9060    8.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7115    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7115   10.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9060   10.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5171    8.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230    9.1805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230   10.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172   10.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1287    8.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1287    7.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    7.2232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8515    7.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8515    8.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9901    9.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5171    7.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9060    7.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6573    7.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9115    7.9795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230    7.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3230    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.5758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   12.0242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6573    9.1805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6920    8.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  1  0  0  0  0
 25 26  1  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
  8 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
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 12 21  1  0  0  0  0
  1 23  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050331

> <COMMON_NAME>
Robustigenin

> <SYSTEMATIC_NAME>
5-Hydroxy-7,2',4',5'-tetramethoxyisoflavone

> <FORMULA>
C19H18O7

> <MASS>
358.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KCWRISNCTMEKEV-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O7/c1-22-10-5-13(20)18-17(6-10)26-9-12(19(18)21)11-7-15(24-3)16(25-4)8-14(11)23-2/h5-9,20H,1-4H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
7330527

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 100139

> <CITATION>
-

$$$$