LMPK12010020
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0     0  0            999 V2000
    7.7178   13.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7178   12.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5541   11.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3904   12.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3904   13.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5541   13.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268   11.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0631   12.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0631   13.1264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268   13.6093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8991   13.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7516   13.1170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6040   13.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6040   14.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7516   15.0856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8991   14.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4562   15.0854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8818   13.6092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5541   10.7127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0445   11.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6159   10.3614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2606    8.3464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3416    7.6506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9096   10.3189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7800    7.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8729   10.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6562   10.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4770    9.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5176    8.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7340    9.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7745    8.9657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3947   11.3717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1594   10.3360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1423    8.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4910    8.8205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4969    9.8459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3862   10.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2701    9.8308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2615    8.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3721    8.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3635    7.2846    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 21  1  1     0  0
 37 32  1  6     0  0
 38 33  1  6     0  0
 39 34  1  1     0  0
 26 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010020

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pelargonidin 3-neohesperidoside

> <FORMULA>
C27H31O14

> <MASS>
579.17

> <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>
FL7AAAGL0006

> <PUBCHEM_COMPOUND_ID>
101422356

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010020

$$$$