LMPK12070071
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    9.0881   -4.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0883   -5.4183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8892   -5.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6900   -5.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6899   -4.4933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8888   -4.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4909   -5.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2918   -5.4178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2916   -4.4929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4906   -4.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0922   -5.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0925   -6.8686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9488   -7.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8051   -6.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8050   -5.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9485   -5.3854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4935   -6.8687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2749   -4.0241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9485   -4.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2751   -5.8878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6182   -7.3379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4091   -5.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4843   -6.8379    0.0000 C   0  0  0  0  0  0  0  0  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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
 14 21  1  0  0  0  0
 20 22  1  0     0  0
 21 23  1  0     0  0
M  END
> <LM_ID>
LMPK12070071

> <COMMON_NAME>
Nissolicarpin

> <SYSTEMATIC_NAME>
3,7-Dihydroxy-2,9-dimethoxypterocarpan

> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AUNLBMBIPNNEDJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-20-8-3-12(19)16-10-7-22-13-6-11(18)14(21-2)5-9(13)17(10)23-15(16)4-8/h3-6,10,17-19H,7H2,1-2H3

> <SMILES>
C1(O)=CC2OCC3C4C(O)=CC(OC)=CC=4OC3C=2C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257456

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 105943

> <CITATION>
-

$$$$