LMPK12070158
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.3849   -5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3849   -6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1769   -6.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9690   -6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9690   -5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1769   -5.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7612   -6.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5533   -6.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5533   -5.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7612   -5.0442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3450   -6.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3450   -7.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1918   -8.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0387   -7.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0387   -6.8733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1918   -6.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7612   -7.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1918   -9.2548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1769   -4.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8310   -6.4157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8483   -7.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8310   -8.3085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5927   -5.0441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7266   -5.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6970   -7.8084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  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
  6 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0     0  0
 22 25  1  0     0  0
M  END
> <LM_ID>
LMPK12070158

> <COMMON_NAME>
Bryacarpene 1

> <SYSTEMATIC_NAME>
4,10-Dihydroxy-3,8,9-trimethoxypterocarpene

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MICWLBUZXFKDEE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-21-11-5-4-8-15-10(7-24-16(8)13(11)19)9-6-12(22-2)18(23-3)14(20)17(9)25-15/h4-6,19-20H,7H2,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257505

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 77267

> <CITATION>
-

$$$$