LMPK12090048
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.9773   -5.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9773   -6.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777   -7.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5779   -6.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5779   -5.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777   -5.4089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3783   -7.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1788   -6.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1788   -5.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3783   -5.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9788   -7.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9788   -8.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8346   -8.7392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6902   -8.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6902   -7.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8346   -6.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3868   -8.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9791   -5.4089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6299   -8.5503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2109   -7.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6299   -6.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768   -7.2570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1218   -5.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777   -8.2448    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8055   -8.8383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2557   -5.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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  2  0  0  0  0
  8  9  1  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
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  9 18  2  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  2 22  1  0  0  0  0
  1 23  1  0  0  0  0
  3 24  1  0  0  0  0
 23 26  1  0     0  0
M  END
> <LM_ID>
LMPK12090048

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2-Hydroxy-1,3-dimethoxy-8,9-methylenedioxycoumestan

> <FORMULA>
C18H12O8

> <MASS>
356.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Coumestan flavonoids [PK1209]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
POCRQIUFZUZJBZ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H12O8/c1-21-12-5-11-14(17(22-2)15(12)19)16-13(18(20)26-11)7-3-9-10(24-6-23-9)4-8(7)25-16/h3-5,19H,6H2,1-2H3

> <SMILES>
C1(OC)C(O)=C(OC)C2C3OC4=CC5OCOC=5C=C4C=3C(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
166607

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257536

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 450083

> <CITATION>
-

$$$$