LMPK12010219
  LIPID_MAPS_STRUCTURE_DATABASE

 45 49  0     0  0            999 V2000
    8.4858   14.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4858   13.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   13.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2820   13.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2820   14.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   15.0803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1799   13.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780   13.5248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0780   14.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1799   15.0803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0540   15.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9522   14.6068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8502   15.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8502   16.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9522   16.6807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0540   16.1623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6549   16.6268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8878   13.0575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7568   14.9827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3838   12.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6798   14.6463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9308   11.3231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9299    9.5897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9329    9.5921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4287   12.1896    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5951   10.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4320   12.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9323   11.3244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4294   10.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4310   10.4575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9307   11.3241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322   11.3254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5809    8.3821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8403    7.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1192    8.4065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8615   10.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7275    9.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7204    8.8886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8473    8.3943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869    8.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9940    9.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1334   10.4079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5725    7.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4343    6.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7023    6.8894    0.0000 O   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
 14 17  1  0  0  0  0
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 13 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 18  1  1     0  0
 33 43  1  0     0  0
 43 44  1  0     0  0
 43 45  2  0     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010219

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Cyanidin-3-(2'-acetylrutinoside)

> <FORMULA>
C29H33O16

> <MASS>
637.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AACGL0110

> <PUBCHEM_COMPOUND_ID>
100942584

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010219

$$$$