LMPK12010352
  LIPID_MAPS_STRUCTURE_DATABASE

 44 48  0     0  0            999 V2000
    7.6802   10.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6804    9.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6284    9.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5765    9.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5765   10.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6284   11.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5248    9.2363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4729    9.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4729   10.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5249   11.4262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4206   11.4260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3870   10.8679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3536   11.4257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3536   12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3870   13.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4207   12.5417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.4257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2830   13.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6284    8.1419    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6990    9.1196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3198   10.8682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3870   14.1004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1559   14.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3337   10.3033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1478    9.4572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3195    7.4677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6886    7.7352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8162    5.8148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5998    8.7345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4193    9.3084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3282    8.8832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4138    7.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5942    7.3145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6799    6.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9576    4.0070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9622    3.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8306    5.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2502    6.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8210    5.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3917    4.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3915    4.7506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8257    5.5733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2551    6.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6891    7.2998    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 43 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  0     0  0
 42 43  1  0     0  0
 43 44  1  6     0  0
 39 28  1  1     0  0
 40 35  1  6     0  0
 41 36  1  6     0  0
 42 37  1  1     0  0
 29 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010352

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Petunidin 3-rutinoside

> <FORMULA>
C28H33O16

> <MASS>
625.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038098

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AAHGL0004

> <PUBCHEM_COMPOUND_ID>
101949843

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010352

$$$$