LMPK12070040
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    7.0395    8.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0395    7.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7205    7.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4016    7.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4016    8.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7205    8.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0826    7.2084    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7637    7.6016    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7637    8.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0826    8.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4445    7.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4445    6.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1727    5.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9009    6.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9009    7.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1727    7.6289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0897    6.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3584    8.7812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7004    6.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1946    6.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7004    7.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3587    7.2085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3587    6.4241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6793    6.0319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6793    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.4241    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
 18  1  1  0  0  0  0
 12 17  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 15  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070040

> <COMMON_NAME>
Edunol

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

> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UFBHHWPUVXVFRG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-11(2)3-4-12-5-14-17(7-16(12)22)23-9-15-13-6-19-20(25-10-24-19)8-18(13)26-21(14)15/h3,5-8,15,21-22H,4,9-10H2,1-2H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=CC2C3OC4=CC5OCOC=5C=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
494278

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$