LMPK12050427
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   10.6590    9.5398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5513    9.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4438    9.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3358    9.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3358    7.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2607    7.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1860    7.9564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1860    9.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2607    9.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5516    7.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4438    7.4797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2607    6.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1103    7.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1103    6.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9947    5.8910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8791    6.4015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8791    7.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9947    7.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7635    5.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4267    6.4521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4438   10.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1004   10.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8148    7.6006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2132    6.4960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4607    7.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793    9.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6161    8.5836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8607    8.9877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9387    8.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1351    7.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2590    7.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1811    8.8525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3049    9.2701    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
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 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  1     0  0
 28  1  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12050427

> <COMMON_NAME>
Isotectorigenin 7-O-glucoside

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-8-methoxyisoflavone 7-O-glucoside

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YJBZWKGFYVMPDY-MAEOEUOPSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-30-20-13(32-22-19(29)18(28)17(27)14(7-23)33-22)6-12(25)15-16(26)11(8-31-21(15)20)9-2-4-10(24)5-3-9/h2-6,8,14,17-19,22-25,27-29H,7H2,1H3/t14-,17-,18+,19-,22-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13965470

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 185975

> <CITATION>
-

$$$$