LMPK12010363
  LIPID_MAPS_STRUCTURE_DATABASE

 43 47  0     0  0            999 V2000
    8.5835   12.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4911   12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4911   13.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5835   14.4763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6761   13.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6761   12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3987   12.3804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3064   12.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3064   13.9522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3987   14.4763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1709   14.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0386   13.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9062   14.4513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9062   15.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0386   15.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1709   15.4534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0328   16.6943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6224   15.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9335   14.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5835   11.6443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1556   12.4139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7393   17.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6012   14.0502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6465   11.0948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2885    9.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3551    8.3637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9200   11.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7817    8.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8904   11.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6797   10.7444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4990    9.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5323    9.3767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7429   10.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7761    9.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1142   12.5418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1015   11.9942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6172   10.0033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8999    9.8234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6382   10.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3720   11.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3677   11.2705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6255   10.2752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8917    9.5517    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
  2  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  3  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
 15 17  1  0  0  0  0
 14 18  1  0  0  0  0
  5 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  0  0  0  0
 17 22  1  0  0  0  0
 13 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
 39 24  1  1     0  0
 40 35  1  6     0  0
 41 36  1  1     0  0
 42 37  1  6     0  0
 29 21  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010363

> <COMMON_NAME>
Petunidin 3-sambubioside

> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxy-5'-methoxyflavylium 3-xylosyl-(1->2)-glucoside

> <FORMULA>
C27H31O16

> <MASS>
611.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Petunidin 3-(2-xylosylglucoside); Petunidin 3-O-beta-D-sambubioside

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AAHGL0016

> <PUBCHEM_COMPOUND_ID>
101006856

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010363

$$$$