LMPK12100050
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.5071    9.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2180   10.2698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9286    9.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9286    9.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    8.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4027    9.0084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4027    9.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656   10.2850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5074    9.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2180    8.6286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    7.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9589    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9590    6.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6656    6.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722    6.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3722    7.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1132   10.2697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353    5.3327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6467    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9785    5.9928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7966   10.2695    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2180    7.8082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5941    7.4481    0.0000 C   0  0  0  0  0  0  0  0  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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 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
  1 21  1  0  0  0  0
 10 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100050

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7-Dimethoxy-3',4'-methylenedioxy-4-phenylcoumarin

> <FORMULA>
C18H14O6

> <MASS>
326.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BYQLWMWVXPFENQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O6/c1-20-11-6-15(21-2)18-12(8-17(19)24-16(18)7-11)10-3-4-13-14(5-10)23-9-22-13/h3-8H,9H2,1-2H3

> <SMILES>
C1(OC)C=C(OC)C2C(C3C=C4OCOC4=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196324

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14524613

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$