LMPK12050446
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   10.6791    9.8048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5705    9.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4623    9.8049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3536    9.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3536    8.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2780    7.6893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2023    8.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2023    9.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2780    9.8241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5708    8.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4623    7.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2780    6.9782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0935    7.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0935    6.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9773    6.1778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8611    6.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8611    7.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9773    8.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7523    6.1733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5206    6.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6653    7.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9741    6.8999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3019    7.8841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    9.8168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5701    9.2050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8361    9.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292    8.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9809    7.8721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1448    8.3642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1517    9.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3157    9.8286    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  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
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26  1  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  END
> <LM_ID>
LMPK12050446

> <COMMON_NAME>
Dihydroformononetin 7-O-glucoside

> <SYSTEMATIC_NAME>
7-Hydroxy-4'-methoxyisoflavanone 7-O-glucoside

> <FORMULA>
C22H24O9

> <MASS>
432.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2,3-Dihydro-ononin

> <INCHI_KEY>
HFGKWDADYLJTEW-KTTVMXGCSA-N

> <INCHI>
InChI=1S/C22H24O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,15,17,19-23,25-27H,9-10H2,1H3/t15?,17-,19-,20+,21-,22-/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=CC(OC)=CC=3)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
181856

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 58890

> <CITATION>
-

$$$$