LMPK12070154
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.8963    9.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8963    8.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6786    8.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4611    8.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4611    9.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6786   10.2812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435    8.4743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0260    8.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0260    9.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435   10.2812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8081    8.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8081    7.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6446    7.0254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4812    7.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4812    8.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6446    8.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2435    7.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6446    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.3118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167    8.9568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3217    8.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3167    7.0259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5349    7.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
 13 18  1  0  0  0  0
  1 19  1  0  0  0  0
 15 21  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070154

> <COMMON_NAME>
Bryacarpene 2

> <SYSTEMATIC_NAME>
10-Hydroxy-3,8,9-trimethoxypterocarpene

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WAKKZAYCWOUZJK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-20-9-4-5-10-13(6-9)23-8-12-11-7-14(21-2)18(22-3)15(19)17(11)24-16(10)12/h4-7,19H,8H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257501

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 77267

> <CITATION>
-

$$$$