LMPK12111030
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.1803    1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1803    0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1244    0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0686    0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0686    1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1244    2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0126    0.3369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9569    0.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9569    1.9720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0126    2.5171    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0126   -0.5133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1244   -0.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0057    2.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0005    1.9776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9954    2.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9954    3.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0005    4.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0057    3.7008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9899    4.2748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0005    5.4234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2762    2.5300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0347   -1.1027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3012   -2.1035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730   -1.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010    0.8987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101    0.2513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1706    0.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1706   -0.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3010   -1.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4371   -0.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4371    0.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5730    0.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2909    3.5299    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  3 12  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
 13  9  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
  1 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
 21 33  1  0     0  0
 27  2  1  1     0  0
M  END
> <LM_ID>
LMPK12111030

> <COMMON_NAME>
Swertiajaponin

> <SYSTEMATIC_NAME>
6-beta-D-glucopyranosyl-3',4',5-trihydroxy-7-methoxyflavone

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Leucanthoside

> <KEGG_ID>
C10187

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL3FCCCS0001

> <PUBCHEM_COMPOUND_ID>
442659

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12111030

$$$$