LMPK12080007
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.6136   12.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6136   11.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400   10.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2665   11.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2665   12.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4400   12.8830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0929   10.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193   11.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193   12.4059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0929   12.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8003   10.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8003    9.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6839    9.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5676    9.9225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5676   10.9428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6839   11.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.9145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4485    9.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6839    8.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5649    7.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5649    6.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6839    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4459    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    9.4140    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9193    8.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
 13 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
 12 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080007

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2'-O-Methylphaseollidinisoflavan

> <FORMULA>
C21H24O4

> <MASS>
340.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZEJRFMCOSHZBRD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H24O4/c1-13(2)4-7-18-19(23)9-8-17(21(18)24-3)15-10-14-5-6-16(22)11-20(14)25-12-15/h4-6,8-9,11,15,22-23H,7,10,12H2,1-3H3

> <SMILES>
C1(O)C=CC2CC(C3=CC=C(O)C(C/C=C(/C)\C)=C3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0034010

> <CHEBI_ID>
175318

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257507

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3917

> <CITATION>
-

$$$$