LMPK12010236
  LIPID_MAPS_STRUCTURE_DATABASE

 44 48  0     0  0            999 V2000
    7.7283   15.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7283   14.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5802   13.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4321   14.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4321   15.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5802   15.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2841   13.5383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360   14.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1360   15.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2841   15.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9876   15.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8561   15.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7243   15.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7243   16.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8559   17.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9876   16.5081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8767   15.5056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5924   17.0094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5802   12.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6340   13.5497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8559   18.0120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7243   18.5133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6123   14.0647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0477   12.6088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5034   10.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0802   11.8360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3510   12.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3401   13.0818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0586   12.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7864   11.3683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7973   11.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5250   10.1279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3713    8.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3358    8.2994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4892   10.1551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1123   10.7988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   11.7339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5402    9.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9480    9.0346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9279    9.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047   10.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0969   10.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736   11.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5836    9.7906    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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 31 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  0     0  0
 31 32  1  1     0  0
 27 20  1  1     0  0
 28 23  1  6     0  0
 29 24  1  1     0  0
 30 25  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
 39 33  1  6     0  0
 40 34  1  1     0  0
 41 35  1  6     0  0
 32 44  1  0     0  0
 38 44  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010236

> <COMMON_NAME>
Peonidin 3-gentiobioside

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(beta-D-glucopyranosyl-beta-D-glucopyranosyl)-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>
FL7AADGL0005

> <PUBCHEM_COMPOUND_ID>
102153854

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010236

$$$$