LMPK12070078
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0  0  0  0            999 V2000
    9.8351   -5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8351   -6.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6489   -6.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629   -6.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4629   -5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6489   -5.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2768   -6.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0908   -6.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0908   -5.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2768   -5.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9043   -6.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9043   -7.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7746   -8.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6449   -7.9938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6449   -6.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7746   -6.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2768   -7.9935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212   -5.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212   -6.9891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0212   -7.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073   -8.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2073   -9.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3933   -7.9289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6004   -8.3043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1911   -7.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6004   -6.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6489   -4.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5721   -6.0966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7608   -7.2141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5150   -3.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 12 17  1  0     0  0
  1 18  1  0     0  0
  2 19  1  0     0  0
 19 20  1  0     0  0
 20 21  2  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 14 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 15  1  0     0  0
  6 27  1  0     0  0
  8 28  1  6     0  0
  7 29  1  6     0  0
 27 30  1  0     0  0
M  END
> <LM_ID>
LMPK12070078

> <COMMON_NAME>
Neoraucarpanol

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

> <FORMULA>
C22H22O6

> <MASS>
382.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DFYMDQGSLUSMGL-YWZLYKJASA-N

> <INCHI>
InChI=1S/C22H22O6/c1-11(2)4-5-12-6-14-20-15(9-25-21(14)22(24-3)19(12)23)13-7-17-18(27-10-26-17)8-16(13)28-20/h4,6-8,15,20,23H,5,9-10H2,1-3H3/t15-,20-/m0/s1

> <SMILES>
C1(O)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>
101324842

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1888375

> <CITATION>
-

$$$$