LMPK12070086
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.8502   10.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8502    9.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6398    9.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4294    9.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4294   10.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6398   10.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2190    9.0199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0086    9.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0086   10.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2190   10.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7979    9.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7979    8.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6422    7.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4863    8.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4863    9.0201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6422    9.5075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2190    8.0456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6398   11.7553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6422    6.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6564    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2759    7.5894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5052    8.2991    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
  1  2  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  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  1  0  0  0  0
 12 17  1  0  0  0  0
  6 18  1  0  0  0  0
 13 19  1  0  0  0  0
  1 21  1  0  0  0  0
 14 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070086

> <COMMON_NAME>
Melilotocarpan C

> <SYSTEMATIC_NAME>
4-Hydroxy-3,9,10-trimethoxypterocarpan

> <FORMULA>
C18H18O6

> <MASS>
330.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITMVICNONDPRSU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H18O6/c1-20-12-6-5-10-15-11(8-23-16(10)14(12)19)9-4-7-13(21-2)18(22-3)17(9)24-15/h4-7,11,15,19H,8H2,1-3H3

> <SMILES>
C1(OC)=C(O)C2OCC3C4C=CC(OC)=C(OC)C=4OC3C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033697

> <CHEBI_ID>
175207

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319350

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 47082

> <CITATION>
-

$$$$