LMPK12050317
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0  0  0  0  0  0  0  0999 V2000
    6.4987    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4987    7.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1945    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8902    7.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8902    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1945    8.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    7.3024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    8.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860    8.5074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9776    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9776    6.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7215    5.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4653    6.0418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4653    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7215    7.3302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5860    6.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1945    6.0977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8033    6.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8033    8.5072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1945    9.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2819    5.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4987    9.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8033    9.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8030    6.0973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4987    5.6957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4016   10.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0972    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9004    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1611    5.6402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2442    6.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  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
  8 11  1  0  0  0  0
 11 12  2  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 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 21  1  0  0  0  0
 12 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 19 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 18  1  0  0  0  0
 24 27  1  0  0  0  0
 24 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050317

> <COMMON_NAME>
1'',2''-Dihydro-2'-hydroxycycloosajin

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O6

> <MASS>
436.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YQYFCFXLBNIBOW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H28O6/c1-25(2)10-8-16-22(31-25)17-9-11-26(3,4)32-24(17)20-21(28)18(13-30-23(16)20)15-7-6-14(29-5)12-19(15)27/h6-7,12-13,27H,8-11H2,1-5H3

> <SMILES>
C12OC(C)(C)CCC=1C1OC=C(C3C=CC(OC)=CC=3O)C(=O)C=1C1OC(C)(C)CCC2=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257321

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$