LMPK12050123
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0     0  0            999 V2000
    7.5537   10.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5537    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1960    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1960   10.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3749   10.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0171    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    9.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382   10.1881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0171   10.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6592    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6592    7.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5371    7.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4149    7.7524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4149    8.7661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5371    9.2729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0171    7.8180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3789    7.4392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9748    8.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3789    9.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.7661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8382    7.2783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666   10.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8093    6.2787    0.0000 C   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
  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
 14 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
 12 23  1  0  0  0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
M  END
> <LM_ID>
LMPK12050123

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6-Hydroxy-7,2'-dimethoxy-4',5'-methylenedioxyisoflavone

> <FORMULA>
C18H14O7

> <MASS>
342.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XYFYMIVHOFOGRO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O7/c1-21-13-5-17-16(24-8-25-17)4-9(13)11-7-23-14-6-15(22-2)12(19)3-10(14)18(11)20/h3-7,19H,8H2,1-2H3

> <SMILES>
C1(OC)=CC2OC=C(C3C=C4OCOC4=CC=3OC)C(=O)C=2C=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257253

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 149663

> <CITATION>
-

$$$$