LMPK12070156
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.8919   10.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8919    9.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6698    9.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4477    9.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4477   10.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6698   10.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2256    9.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0036    9.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0036   10.3852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2256   10.8341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7812    9.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7812    8.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6129    7.5973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4447    8.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4447    9.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6129    9.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2256    8.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2760    9.5178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2750    8.9409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   10.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607   12.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6129    6.6374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6120    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2760    7.5974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4870    8.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  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  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
 15 18  1  0  0  0  0
  1 20  1  0  0  0  0
 13 22  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070156

> <COMMON_NAME>
Bryacarpene 3

> <SYSTEMATIC_NAME>
3,8,9,10-Tetramethoxypterocarpene

> <FORMULA>
C19H18O6

> <MASS>
342.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
POIDJPZIKAENEO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H18O6/c1-20-10-5-6-11-14(7-10)24-9-13-12-8-15(21-2)18(22-3)19(23-4)17(12)25-16(11)13/h5-8H,9H2,1-4H3

> <SMILES>
C1(OC)C=CC2C3OC4=C(OC)C(OC)=C(OC)C=C4C=3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257503

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 77267

> <CITATION>
-

$$$$