LMPK12070133
  LIPID_MAPS_STRUCTURE_DATABASE

 23 27  0     0  0            999 V2000
    6.9762    9.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9762    8.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069    7.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6379    8.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6379    9.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8069    9.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4688    7.6838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997    8.1635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2997    9.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4688    9.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1302    7.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1302    6.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0187    6.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9071    6.6581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9071    7.6839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0187    8.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4775    6.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    9.6026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1262    8.6406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8826    6.3410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4855    7.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8826    8.0009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9554    7.3060    0.0000 H   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  6  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
  7 23  1  6     0  0
M  END
> <LM_ID>
LMPK12070133

> <COMMON_NAME>
6alpha-Hydroxymaackiain

> <SYSTEMATIC_NAME>
3,6alpha-Dihydroxy-8,9-methylenedioxypterocarpan

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6a-Hydroxyinermin

> <INCHI_KEY>
GLMPLZUBQDAZEN-JKSUJKDBSA-N

> <INCHI>
InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m0/s1

> <SMILES>
C1(O)C=CC2[C@]3([H])OC4=CC5OCOC=5C=C4[C@]3(O)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033720

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
182285

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 57577

> <CITATION>
-

$$$$