LMPK12050201
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.8959    7.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8959    6.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    6.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3440    6.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3440    7.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    7.8655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0681    6.1933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7921    6.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7921    7.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0681    7.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0681    5.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5160    6.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5160    5.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1876    5.0304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    5.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8591    6.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1876    6.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5830    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    5.3574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1719    6.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8959    9.1196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1719    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1719    7.8655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3360    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7539    9.4256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4479    6.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    6.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7240    5.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 12  2  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24  1  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 20 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050201

> <COMMON_NAME>
Osajin

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O5

> <MASS>
404.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DCTLJGWMHPGCOS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H24O5/c1-14(2)5-10-17-21(27)20-22(28)19(15-6-8-16(26)9-7-15)13-29-24(20)18-11-12-25(3,4)30-23(17)18/h5-9,11-13,26-27H,10H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OC=C(C3=CC=C(O)C=C3)C(=O)C=1C(O)=C2C/C=C(/C)\C

> <KEGG_ID>
C10511

> <HMDB_ID>
-

> <CHEBI_ID>
7797

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
95168

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$