LMPK12050452
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
   10.2042   10.8367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0979   10.3207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9994   10.8411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9008   10.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9008    9.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8354    8.7016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7704    9.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7704   10.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8354   10.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0982    9.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9994    8.7597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8354    7.9132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6640    8.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6640    7.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5577    7.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4513    7.6936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4513    8.7255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5577    9.2414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7721    6.1686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7984    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2179    7.0032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5577   10.2733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7158   10.9419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6725    8.9072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7354    8.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3351    9.8267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5328   11.2972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9593   11.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2382   10.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9724    9.6191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0011    9.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3011   10.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5669   11.0442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8667   11.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  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  7  1  0  0  0  0
  7  8  1  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
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 18 22  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>
LMPK12050452

> <COMMON_NAME>
Onogenin 7-O-glucoside

> <SYSTEMATIC_NAME>
7-Hydroxy-2'-methoxy-4',5'-methylenedioxyisoflavanone 7-O-glucoside

> <FORMULA>
C23H24O11

> <MASS>
476.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Onoside

> <INCHI_KEY>
MUMZCCFWSDSRJP-UMTYBONSSA-N

> <INCHI>
InChI=1S/C23H24O11/c1-29-14-6-17-16(31-9-32-17)5-12(14)13-8-30-15-4-10(2-3-11(15)19(13)25)33-23-22(28)21(27)20(26)18(7-24)34-23/h2-6,13,18,20-24,26-28H,7-9H2,1H3/t13?,18-,20-,21+,22-,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(OC)=CC4OCOC=4C=3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13258916

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$