LMPK12010115
  LIPID_MAPS_STRUCTURE_DATABASE

 43 47  0     0  0            999 V2000
    7.6375   12.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6375   11.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5427   10.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4478   11.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4478   12.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5427   12.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3531   10.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2583   11.3185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2583   12.3637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3531   12.8863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1632   12.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0857   12.3535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0082   12.8860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0082   13.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0857   14.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1632   13.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9306   14.4840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.8860    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5427    9.7509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1963   10.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0857   15.5491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1408    6.5840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9914    9.8837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1552    8.0095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6165    6.9349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5979    9.2018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3696    9.7439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2219    9.3464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3029    8.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5334    7.8697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6811    8.2671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9117    7.7298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2107   11.3161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0610   10.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6883    9.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2321    8.8275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4093    7.7732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9147    9.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5243   10.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4515   10.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    9.3755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1554    8.6593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4690    7.7748    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
 15 21  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
 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
 38 23  1  1     0  0
 39 33  1  6     0  0
 40 34  1  1     0  0
 41 35  1  6     0  0
 22 32  1  0     0  0
 27 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010115

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Cyanidin 3-sophoroside

> <FORMULA>
C27H31O16

> <MASS>
611.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C16306

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
80438

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AACGL0006

> <PUBCHEM_COMPOUND_ID>
11169452

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010115

$$$$