LMPK12050416
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   10.2987   10.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1769   10.4751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0629   10.9865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9485   10.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9485    9.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8670    8.8843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7857    9.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7857   10.4752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8670   11.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1770    9.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0629    8.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8670    7.8702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6638    8.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6638    7.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5420    7.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4200    7.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4200    8.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5420    9.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2981    7.3866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0629    7.9272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5420    6.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2981    9.4146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2989    8.9457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3021    5.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1520    8.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5474    8.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3262    9.3249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4044    9.3386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4596   11.0069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8632   11.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860   12.4990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3400   10.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8537   10.1592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8905   10.1672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4182   11.0013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9045   11.8299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4322   12.6642    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 11 20  1  0  0  0  0
 15 21  1  0  0  0  0
 17 22  1  0  0  0  0
 10 23  1  0  0  0  0
 21 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0     0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  1     0  0
 32  1  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
M  END
> <LM_ID>
LMPK12050416

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-6,3',5'-trimethoxyisoflavone 7-O-glucoside

> <FORMULA>
C24H26O13

> <MASS>
522.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IQTVXXFPZRQDQT-DBPUZLCNSA-N

> <INCHI>
InChI=1S/C24H26O13/c1-32-12-4-9(5-13(33-2)18(12)27)10-8-35-11-6-14(23(34-3)20(29)16(11)17(10)26)36-24-22(31)21(30)19(28)15(7-25)37-24/h4-6,8,15,19,21-22,24-25,27-31H,7H2,1-3H3/t15-,19-,21+,22-,24-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(OC)=C(O)C2C(=O)C(C3C=C(OC)C(O)=C(OC)C=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102076105

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 13100

> <CITATION>
-

$$$$