LMPK12050108
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   10.6411    9.6117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5354    9.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4299    9.6119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244    9.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3244    8.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2520    7.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1796    8.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1796    9.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2520    9.6312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5355    8.0629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4299    7.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2520    6.6221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0737    7.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0737    6.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9605    5.9727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8473    6.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8473    7.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9605    8.0206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7413    8.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7413    5.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    7.5467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4716    7.6031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4735    6.3909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6414    6.5800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8111    7.8641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822    7.7092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7881    9.2997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1272   10.3308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6836   10.7987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6790    9.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640    8.6594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2971    8.5830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7503    9.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1653   10.2521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6182   11.0474    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
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
 10 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0     0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30  1  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12050108

> <COMMON_NAME>
Cladrastin 7-O-glucoside

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

> <FORMULA>
C24H26O11

> <MASS>
490.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PMHWEGVKSVMZAG-PFKOEMKTSA-N

> <INCHI>
InChI=1S/C24H26O11/c1-30-14-5-4-11(6-16(14)31-2)13-10-33-15-8-18(17(32-3)7-12(15)20(13)26)34-24-23(29)22(28)21(27)19(9-25)35-24/h4-8,10,19,21-25,27-29H,9H2,1-3H3/t19-,21-,22+,23-,24-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(OC)=CC2C(=O)C(C3C=C(OC)C(OC)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
74765373

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2816372

> <CITATION>
-

$$$$