LMPK12010395
  LIPID_MAPS_STRUCTURE_DATABASE

 44 48  0     0  0            999 V2000
    8.5576   12.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4543   12.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4543   13.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576   14.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608   13.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6608   12.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3511   12.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2478   12.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2478   13.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3511   14.2456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1021   14.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596   13.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8169   14.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8169   15.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596   15.7060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1021   15.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9596   16.3681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5244   15.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9272   14.1514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576   11.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0870   12.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6935   17.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7388   13.7016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5420   14.1656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8631   11.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8484    9.1060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0604    8.0934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1842   10.6692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4615    8.1216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0811   11.1802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9691   10.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9603    9.6269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0664    9.1208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1785    9.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2845    9.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3295   12.6112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3149   12.0639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8302   10.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1154    9.8951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8539   10.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5870   11.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5819   11.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8394   10.3465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1063    9.6237    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
 23 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 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  0     0  0
 34 35  1  1     0  0
 30 21  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 44 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  0     0  0
 40 25  1  1     0  0
 41 36  1  6     0  0
 42 37  1  1     0  0
 43 38  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010395

> <COMMON_NAME>
Malvidin 3-O-beta-D-sambubioside

> <SYSTEMATIC_NAME>
3-[2-O-(beta-D-Xylopyranosyl)-beta-D-glucopyranosyloxy]-5,7-dihydroxy-2-(3,5-dimethoxy-4-hydroxyphenyl)-1-benzopyrylium

> <FORMULA>
C28H33O16

> <MASS>
625.18

> <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>
FL7AAIGL0024

> <PUBCHEM_COMPOUND_ID>
101006857

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010395

$$$$