LMPK12070157
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0  0  0  0  0  0  0  0999 V2000
    8.9982   -5.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9982   -6.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7964   -7.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5947   -6.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5947   -5.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7964   -5.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3929   -7.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1913   -6.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1913   -5.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3929   -5.4238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9892   -7.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9892   -8.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8428   -8.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6963   -8.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6963   -7.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8428   -6.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4013   -8.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6336   -8.5572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2129   -7.7599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6336   -6.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1999   -7.2672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1449   -5.3921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7964   -8.2525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2789   -5.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9303   -8.7525    0.0000 C   0  0  0  0  0  0  0  0  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
 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
  2 21  1  0  0  0  0
  1 22  1  0  0  0  0
  3 23  1  0  0  0  0
 22 24  1  0     0  0
 23 25  1  0     0  0
M  END
> <LM_ID>
LMPK12070157

> <COMMON_NAME>
Leiocalycin

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

> <FORMULA>
C18H14O7

> <MASS>
342.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QBUHOSURLPCJPE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O7/c1-20-14-5-13-15(18(21-2)16(14)19)17-9(6-22-13)8-3-11-12(24-7-23-11)4-10(8)25-17/h3-5,19H,6-7H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257504

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 450083

> <CITATION>
-

$$$$