LMPK12050220
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
   10.7899   10.2836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7492    9.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7085   10.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6678    9.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6678    8.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625    8.0070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6571    8.5813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6571    9.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625   10.3042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7496    8.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7085    8.0688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6625    6.8592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6511    8.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6511    6.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6021    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5528    6.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5528    8.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6021    8.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6905    6.9637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2901    6.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9726    6.7954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8263    8.2626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1183    7.2766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156    8.2625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1182   10.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5247    9.8131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750    9.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9750    8.7557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1182    8.2626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2670    8.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2671    9.7414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156   10.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5106    7.8412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7957    6.8674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1000    7.8652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8165    9.8253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6697    9.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6627    8.3402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8025    7.8532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9548    8.3522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9618    9.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1140    9.8371    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
 11 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 41 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  6     0  0
 37 26  1  1     0  0
 38 33  1  6     0  0
 39 34  1  6     0  0
 40 35  1  1     0  0
 27  1  1  1     0  0
M  END
> <LM_ID>
LMPK12050220

> <COMMON_NAME>
Biochanin A 7-O-rutinoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H32O14

> <MASS>
592.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FLIAABGS0002

> <PUBCHEM_COMPOUND_ID>
97952641

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12050220

$$$$