LMPK12070079
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0  0  0  0            999 V2000
    9.8816   -5.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8816   -6.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6843   -6.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4870   -6.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4870   -5.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6843   -5.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2897   -6.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0922   -6.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0922   -5.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2897   -5.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8946   -6.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8946   -7.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7528   -8.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6110   -7.9840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6110   -6.9931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7528   -6.4976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2897   -7.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790   -6.9932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790   -7.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2763   -8.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2763   -9.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4736   -7.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5534   -8.2902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1359   -7.4886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5534   -6.6868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790   -5.1397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6843   -4.2127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6735   -6.1322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6486   -7.3682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0790   -4.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5503   -3.7127    0.0000 C   0  0  0  0  0  0  0  0  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  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
  2 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 15  1  0  0  0  0
  1 26  1  0  0  0  0
  6 27  1  0  0  0  0
  8 28  1  6     0  0
  7 29  1  6     0  0
 26 30  1  0     0  0
 27 31  1  0     0  0
M  END
> <LM_ID>
LMPK12070079

> <COMMON_NAME>
Neoraucarpan

> <SYSTEMATIC_NAME>
3,4-Dimethoxy-8,9-methylenedioxy-2-prenylpterocarpan

> <FORMULA>
C23H24O6

> <MASS>
396.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XWPFSIAQJJWHLN-KKSFZXQISA-N

> <INCHI>
InChI=1S/C23H24O6/c1-12(2)5-6-13-7-15-21-16(10-26-22(15)23(25-4)20(13)24-3)14-8-18-19(28-11-27-18)9-17(14)29-21/h5,7-9,16,21H,6,10-11H2,1-4H3/t16-,21-/m0/s1

> <SMILES>
C1(OC)C(C/C=C(\C)/C)=CC2[C@]3([H])OC4=CC5OCOC=5C=C4[C@]3([H])COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101324841

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$