LMPK12050066
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   10.9029    9.9273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8204    9.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7380    9.9273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6551    9.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6551    8.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6065    7.7502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5576    8.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5576    9.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6065    9.9469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8206    8.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7380    7.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6065    6.6913    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4747    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4747    6.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3839    6.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2932    6.7200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2932    7.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3839    8.2948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3839    9.1532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2103    8.2993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2103    6.1906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0199    7.8320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9171    6.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0632    7.9323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4154    6.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6126    7.6549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1748    9.7884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7437    8.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0817    9.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1618    8.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3351    7.7933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338    8.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3537    9.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4523    9.6499    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
 18 19  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 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  1     0  0
 29  1  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12050066

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,2'-Dihydroxy-3',4'-dimethoxyisoflavone 7-O-glucoside

> <FORMULA>
C23H24O11

> <MASS>
476.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LQEMSOXERJRDFG-JTLUYSSBSA-N

> <INCHI>
InChI=1S/C23H24O11/c1-30-14-6-5-11(18(26)22(14)31-2)13-9-32-15-7-10(3-4-12(15)17(13)25)33-23-21(29)20(28)19(27)16(8-24)34-23/h3-7,9,16,19-21,23-24,26-29H,8H2,1-2H3/t16-,19-,20+,21-,23-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46899140

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$