LMPK12050267
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0  0  0  0  0  0  0  0999 V2000
    7.1799    9.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1799    8.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8709    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619    8.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619    9.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8709    9.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2529    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9439    8.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9439    9.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2529    9.4333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6349    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6349    6.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3737    6.5578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1126    6.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1126    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3737    8.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2529    7.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4891    9.4332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8709    7.0396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978    9.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7978    8.2365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4888    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3989    9.7253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8709   10.2311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619   10.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619   11.4281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2529   11.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8709   11.8271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5619   12.2260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8036    6.5854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8794    7.2065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3737    5.7599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2612    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  0  0  0  0
 33 34  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
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 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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  2  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 14 31  1  0  0  0  0
 13 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050267

> <COMMON_NAME>
1'',2''-Dihydro-8-hydroxyisopentanyl-3'-methoxy-4'-O-methylalpinumisoflavone

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H32O7

> <MASS>
468.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OHRZKULNMHVVEI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C27H32O7/c1-26(2,30)11-9-17-24-16(10-12-27(3,4)34-24)22(28)21-23(29)18(14-33-25(17)21)15-7-8-19(31-5)20(13-15)32-6/h7-8,13-14,28,30H,9-12H2,1-6H3

> <SMILES>
C12OC(C)(C)CCC1=C(O)C1C(=O)C(C3C=CC(OC)=C(OC)C=3)=COC=1C=2CCC(O)(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
168888

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257311

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$