LMPK12050361
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    7.6111    9.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6111    8.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    8.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960    8.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2960    9.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536   10.0255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1388    8.0797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9813    8.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9813    9.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1387   10.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8239    8.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6664    8.5665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8239    7.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6664    6.6206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5089    7.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5089    8.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1388    7.1068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6194    9.8049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7066    8.1461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6664    9.5393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4536    7.1066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7461    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
 11 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 12  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  2  1  0  0  0  0
 12 21  1  0  0  0  0
  3 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050361

> <COMMON_NAME>
Betavulgarin

> <SYSTEMATIC_NAME>
2'-Hydroxy-5-methoxy-6,7-methylenedioxyisoflavone

> <FORMULA>
C17H12O6

> <MASS>
312.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NDVRQFZUJRMKKP-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O6/c1-20-17-14-12(6-13-16(17)23-8-22-13)21-7-10(15(14)19)9-4-2-3-5-11(9)18/h2-7,18H,8H2,1H3

> <SMILES>
C12OCOC=1C(OC)=C1C(=O)C(C3C=CC=CC=3O)=COC1=C2

> <KEGG_ID>
C10201

> <HMDB_ID>
-

> <CHEBI_ID>
3081

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442668

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 161934

> <CITATION>
-

$$$$