LMPK12010017
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
    7.7326   12.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7326   11.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5832   10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337   11.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4337   12.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5832   12.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2843   10.7669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1350   11.2581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1350   12.2401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2843   12.7311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9850   12.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8520   12.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7190   12.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7190   13.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8520   14.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9850   13.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5856   14.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8824   12.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5832    9.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7826   10.8943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7955   10.5261    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4953    8.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1812    7.0411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4729    9.1361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6825    6.5134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1310    9.9227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1383    9.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4878    8.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8307    7.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8234    8.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1663    7.3963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9808   12.1937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0179   12.0008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8653   10.1436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2401    9.4993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8118   10.4312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4044   11.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4255   11.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8490   10.2383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2563    9.4047    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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 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  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 40 35  1  0     0  0
 35 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
 36 21  1  1     0  0
 37 32  1  6     0  0
 38 33  1  1     0  0
 39 34  1  6     0  0
 26 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010017

> <COMMON_NAME>
Pelargonidin 3-sambubioside

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

> <FORMULA>
C26H29O14

> <MASS>
565.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pelargonidin 3-xylosylglucoside

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
74809

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AAAGL0003

> <PUBCHEM_COMPOUND_ID>
71627264

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010017

$$$$