LMPK12050364
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    6.2164    8.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2164    8.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9009    7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5854    8.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5854    8.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9009    9.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9545    8.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9545    8.8591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    9.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6391    7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6391    6.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3710    6.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029    6.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1029    7.6735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3710    8.0960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    9.1033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4646    7.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2700    6.8831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3710    5.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2502    5.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3710    8.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2502    9.3941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9009    6.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7801    6.3754    0.0000 C   0  0  0  0  0  0  0  0  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
  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  2  1  0  0  0  0
  7 20  2  0  0  0  0
  3 25  1  0  0  0  0
 16 23  1  0  0  0  0
 13 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050364

> <COMMON_NAME>
Hemerocallone

> <SYSTEMATIC_NAME>
5,2',5'-Trimethoxy-6,7-methylenedioxyisoflavone

> <FORMULA>
C19H16O7

> <MASS>
356.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PNFTWBIQHXIJCX-UHFFFAOYSA-N

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

> <SMILES>
C12OCOC1=C(OC)C1C(=O)C(C3=C(OC)C=CC(OC)=C3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318001

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$