LMPK12070070
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.8527   10.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8527    9.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6448    9.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4368    9.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4368   10.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6448   10.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290    9.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0211    9.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0211   10.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290   10.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8130    9.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8130    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    7.5627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5068    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5068    9.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    9.5184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2290    8.0520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2988    9.4869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2988    7.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5320    8.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.2827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6599    6.6480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6772    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  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  1  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
  2 18  1  0  0  0  0
 15 19  1  0  0  0  0
 13 24  1  0  0  0  0
 14 20  1  0  0  0  0
  1 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070070

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2,8-Dihydroxy-3,9,10-trimethoxypterocarpan

> <FORMULA>
C18H18O7

> <MASS>
346.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RJKDCHOJONROOJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O7/c1-21-14-6-13-9(5-11(14)19)15-10(7-24-13)8-4-12(20)17(22-2)18(23-3)16(8)25-15/h4-6,10,15,19-20H,7H2,1-3H3

> <SMILES>
C1(OC)C(O)=CC2C3OC4=C(OC)C(OC)=C(O)C=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185835

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257455

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 450079

> <CITATION>
-

$$$$