LMPK12070135
  LIPID_MAPS_STRUCTURE_DATABASE

 23 27  0  0  0  0  0  0  0  0999 V2000
    6.8798    8.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8798    8.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6990    7.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5181    8.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5181    8.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6990    9.4692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3373    7.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1565    8.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1565    8.9962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3373    9.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9752    7.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9752    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7269    6.5664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7269    7.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    8.0832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3458    6.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.4692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9712    8.5208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6886    6.2539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2830    7.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6886    7.8901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8511    9.0935    0.0000 O   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  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
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
 16 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070135

> <COMMON_NAME>
6a,7-Dihydroxymaackiain

> <SYSTEMATIC_NAME>
3,6a,7-Trihydroxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KVZNRXOMVOCEBF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c17-7-1-2-8-9(3-7)20-5-16(19)12-10(23-15(8)16)4-11-14(13(12)18)22-6-21-11/h1-4,15,17-19H,5-6H2

> <SMILES>
C1(O)C=CC2C3OC4=CC5OCOC=5C(O)=C4C3(O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257489

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 57577

> <CITATION>
-

$$$$