LMPK12050120
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.0949   10.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0949    9.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8952    8.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955    9.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6955   10.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8952   10.7977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4958    8.9496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960    9.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960   10.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4958   10.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0964    8.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0965    7.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9520    7.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8075    7.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8075    8.9495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9520    9.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4958    8.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.7977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   12.2361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6079    7.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6079    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    8.9495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    7.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960    7.4994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2960    6.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6079    9.4115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6358    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  1  0  0  0  0
 26 27  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
  1 18  1  0  0  0  0
 14 20  1  0  0  0  0
  2 22  1  0  0  0  0
 12 24  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050120

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6,7,2',4',5'-Pentamethoxyisoflavone

> <FORMULA>
C20H20O7

> <MASS>
372.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ADVSBKKAOLGTQF-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O7/c1-22-14-8-18(25-4)16(23-2)6-11(14)13-10-27-15-9-19(26-5)17(24-3)7-12(15)20(13)21/h6-10H,1-5H3

> <SMILES>
C1(OC)=CC2OC=C(C3C=C(OC)C(OC)=CC=3OC)C(=O)C=2C=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
632958

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3040932

> <CITATION>
-

$$$$