LMPK12070100
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.4928   10.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928    9.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3034    8.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1141    9.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1141   10.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3034   10.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9249    8.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7356    9.1690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7356   10.1053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9249   10.5731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5460    8.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5460    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4128    7.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2796    7.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2796    8.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4128    9.2015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9333    7.7006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821   10.5733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821    8.7009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6821    7.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    7.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8713    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3034    7.7648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3445    7.1637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0903    7.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3524    7.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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  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
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
  3 24  1  0  0  0  0
 14 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070100

> <COMMON_NAME>
Edulenol

> <SYSTEMATIC_NAME>
3-Hydroxy-1,9-dimethoxy-2-prenylpterocarpan

> <FORMULA>
C22H24O5

> <MASS>
368.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XJMQUTIYKFBASW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C22H24O5/c1-12(2)5-7-15-17(23)10-19-20(21(15)25-4)22-16(11-26-19)14-8-6-13(24-3)9-18(14)27-22/h5-6,8-10,16,22-23H,7,11H2,1-4H3

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C(OC)C2C3OC4=CC(OC)=CC=C4C3COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257473

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 167619

> <CITATION>
-

$$$$