LMPK12050152
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.9702   10.0010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9747    9.0693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839    8.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5883    9.0773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5838   10.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7747   10.4707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974    8.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2018    9.0851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1975   10.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3883   10.4786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0111    8.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0159    7.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8809    7.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7411    7.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7361    8.6317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8712    9.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3974    7.8411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0929    6.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0839    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4846    6.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7698   11.4707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6334   11.9749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1018   10.4968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0969   11.4968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1111    8.5651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2427    9.0608    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
 13 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 14  1  0  0  0  0
  6 21  1  0     0  0
 21 22  1  0     0  0
  1 23  1  0     0  0
 23 24  1  0     0  0
  2 25  1  0     0  0
 25 26  1  0     0  0
M  END
> <LM_ID>
LMPK12050152

> <COMMON_NAME>
Petalostetin

> <SYSTEMATIC_NAME>
6,7,8-Trimethoxy-3',4'-methylenedioxyisoflavone

> <FORMULA>
C19H16O7

> <MASS>
356.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XTQARNACNLDAEQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H16O7/c1-21-15-7-11-16(20)12(8-24-17(11)19(23-3)18(15)22-2)10-4-5-13-14(6-10)26-9-25-13/h4-8H,9H2,1-3H3

> <SMILES>
C1(OC)=C(OC)C2OC=C(C3C=CC4OCOC=4C=3)C(=O)C=2C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257266

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 252452

> <CITATION>
-

$$$$