LMPK12050175
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
   12.0163    9.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8819    9.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470    8.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6442    7.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417    8.3639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5417    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6442    9.9181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0163    8.4010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8819    7.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6442    6.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4383    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4383    6.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2961    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1538    6.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1538    7.8462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2961    8.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9175    6.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2211    9.8591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8819    7.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8716   12.2413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8190   10.4106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3626   12.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2673   12.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9076   12.1380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4169   11.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4619   11.4788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9076   13.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7482   13.5938    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7518   10.7866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8385    9.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6771    9.3343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6771    8.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156    7.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3596    8.3632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3596    9.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156    9.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8385    7.8774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5158    6.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1982    7.8776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
  1 19  1  0  0  0  0
 10 20  1  0  0  0  0
 27 23  1  0     0  0
 27 26  1  0     0  0
 23 24  1  0     0  0
 26 25  1  0     0  0
 24 25  1  0     0  0
 26 22  1  1     0  0
 25 21  1  1     0  0
 25 28  1  0     0  0
 28 29  1  0     0  0
 31 30  1  0     0  0
 33 38  1  6     0  0
 34 39  1  1     0  0
 35 40  1  6     0  0
 32 31  1  1     0  0
 33 32  1  0     0  0
 34 33  1  0     0  0
 35 34  1  0     0  0
 36 35  1  0     0  0
 37 36  1  0     0  0
 32 37  1  0     0  0
 27 30  1  6     0  0
 36 19  1  1     0  0
M  END
> <LM_ID>
LMPK12050175

> <COMMON_NAME>
Genistein 7-O-apiosyl-(1->6)-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O14

> <MASS>
564.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Ambocin

> <INCHI_KEY>
UXJMURXRQMFKJC-JEQMPJCPSA-N

> <INCHI>
InChI=1S/C26H28O14/c27-9-26(35)10-38-25(23(26)34)37-8-17-20(31)21(32)22(33)24(40-17)39-13-5-15(29)18-16(6-13)36-7-14(19(18)30)11-1-3-12(28)4-2-11/h1-7,17,20-25,27-29,31-35H,8-10H2/t17-,20-,21+,22-,23+,24-,25-,26-/m1/s1

> <SMILES>
C1(O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO[C@H]2[C@H](O)[C@](CO)(O)CO2)C=C(O)C2C(=O)C(C3C=CC(O)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184588

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491738

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1888375; 33090

> <CITATION>
-

$$$$