LMPK12010080
  LIPID_MAPS_STRUCTURE_DATABASE

 44 48  0     0  0            999 V2000
    8.4338   14.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338   13.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   13.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2413   13.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2413   14.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   15.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1451   13.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0488   13.7647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0488   14.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1451   15.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0312   15.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9348   14.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8387   15.3753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8387   16.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9348   16.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0312   16.4189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6485   16.8866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7001   15.2318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3375   12.2780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8713   13.2897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8551   11.6538    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8541    9.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8571    9.9228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3529   12.5202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5194   10.7141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3562   12.5217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8565   11.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3537   10.7868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3553   10.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8550   11.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8564   11.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8529    8.7407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3104    7.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4396    8.1636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8099   10.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7507   10.0767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9175    9.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435    8.4516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2082    8.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0415    9.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1060   10.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0183    7.7545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9551    7.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2469    7.1181    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
 40 41  1  6     0  0
 36 25  1  1     0  0
 37 32  1  6     0  0
 38 33  1  6     0  0
 39 34  1  1     0  0
 32 42  1  0     0  0
 42 43  2  0     0  0
 42 44  1  0     0  0
 26 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010080

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pelargonidin 3-(2'-acetylrutinoside)

> <FORMULA>
C29H33O15

> <MASS>
621.18

> <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>
FL7AAAGL0066

> <PUBCHEM_COMPOUND_ID>
100942583

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010080

$$$$