LMPK12010123
  LIPID_MAPS_STRUCTURE_DATABASE

 43 47  0     0  0            999 V2000
    7.7880    9.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7880    8.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    7.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    8.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4418    9.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    9.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2688    7.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0955    8.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0955    9.1156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2688    9.5930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9223    9.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7649    9.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077    9.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6077   10.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7649   11.0524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9223   10.5660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4503   11.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6150    6.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7649   12.0254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9614    9.5929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9911    7.6440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9306    6.9225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2754    4.8817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6827    3.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3660    5.9639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0953    3.3166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1645    6.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1341    6.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3058    5.2423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5093    4.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5396    4.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7432    4.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9239   12.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9193   11.9553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4371    9.9564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7089    9.7759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9938    8.4116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4460   10.7794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1828   11.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1826   11.2288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4414   10.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7046    9.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9635    8.5036    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
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
  8 21  1  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
 27 21  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 37 43  1  0     0  0
 42 36  1  0     0  0
 36 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  1     0  0
 38 17  1  1     0  0
 39 33  1  6     0  0
 40 34  1  1     0  0
 41 35  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010123

> <COMMON_NAME>
Cyanidin 3,4'-diglucoside

> <SYSTEMATIC_NAME>
2-[3-Hydroxy-4-(beta-D-glucopyranosyloxy)phenyl]-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium

> <FORMULA>
C27H31O16

> <MASS>
611.16

> <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>
FL7AACGL0014

> <PUBCHEM_COMPOUND_ID>
101268575

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010123

$$$$