LMPK12010018
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
    7.7240   12.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7281   11.5325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   11.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3991   11.5396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3949   12.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5576   12.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2367   11.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0701   11.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0662   12.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2285   12.9902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8994   12.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7530   12.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6026   13.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5984   13.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7448   14.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8951   13.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4476   14.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8867   12.9760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5696   10.0893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0527   11.0458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8826   10.2202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0609    8.1804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3862    7.0108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2777    9.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8009    6.8890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1175   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0452    9.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1332    8.6129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2958    8.0282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3682    8.4608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5308    7.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2097   11.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2235   11.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9061    9.4839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2330    9.0707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6024    7.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8874   10.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5509   10.8165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5601   10.6297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9012    9.6671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2378    8.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5791    7.9250    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
 36 42  1  0     0  0
 41 35  1  0     0  0
 35 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  0     0  0
 41 42  1  1     0  0
 37 21  1  1     0  0
 38 32  1  6     0  0
 39 33  1  1     0  0
 40 34  1  6     0  0
 26 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010018

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pelargonidin 3-sophoroside

> <FORMULA>
C27H31O15

> <MASS>
595.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C16305

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
134007

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AAAGL0004

> <PUBCHEM_COMPOUND_ID>
23724704

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010018

$$$$