LMPK12111034
  LIPID_MAPS_STRUCTURE_DATABASE

 44 48  0     0  0            999 V2000
   10.2553   -6.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2553   -7.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1994   -7.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1436   -7.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1436   -6.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1994   -5.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0876   -7.8231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0319   -7.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0319   -6.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0876   -5.6429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0876   -8.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1994   -8.9130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0807   -5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0755   -6.1823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0704   -5.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0704   -4.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0755   -3.8847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0807   -4.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0649   -3.8852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0755   -2.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3512   -5.6300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1097   -9.2627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762  -10.2635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480   -9.2629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3760   -7.2613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8851   -7.9086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2456   -7.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2456   -8.7622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3760   -9.2629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5121   -8.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5121   -7.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6480   -7.2614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3659   -4.6301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9152   -0.7416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5630    0.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3658   -0.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8036   -2.5977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2347   -1.7529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8968   -2.1686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8166   -1.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6433   -0.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5446   -1.0322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6247   -2.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5261   -2.4591    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
 38 44  1  0     0  0
 43 37  1  0     0  0
 37 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  1     0  0
 39 20  1  1     0  0
 40 34  1  6     0  0
 41 35  1  1     0  0
 42 36  1  6     0  0
M  END
> <LM_ID>
LMPK12111034

> <COMMON_NAME>
Swertiajaponin 3'-O-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H32O16

> <MASS>
624.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL3FCCDS0001

> <PUBCHEM_COMPOUND_ID>
102153823

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12111034

$$$$