LMPK12010422
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
    8.8382   13.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8382   12.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270   11.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6159   12.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6159   13.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270   13.7948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5048   11.7421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3935   12.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3935   13.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5048   13.7948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3597   13.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2484   13.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1373   13.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1373   14.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2484   15.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3597   14.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9338   15.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1166   13.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7270   10.7933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2024   11.7883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0227   11.7845    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8087   12.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6227   12.1072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7945   10.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1636   10.3852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2912    8.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0748   11.3845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8943   11.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8032   11.5332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8888   10.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0692    9.9645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1549    8.9697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4326    6.6570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4372    6.4967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3056    8.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7252    9.2086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2960    8.3835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8666    7.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8665    7.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3007    8.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7301    9.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1641    9.9498    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
  2 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 41 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  0     0  0
 41 42  1  6     0  0
 37 26  1  1     0  0
 38 33  1  6     0  0
 39 34  1  6     0  0
 40 35  1  1     0  0
 27 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010422

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
6-Hydroxypelargonidin 3-rutinoside

> <FORMULA>
C27H31O15

> <MASS>
595.17

> <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>
FL7AEAGL0001

> <PUBCHEM_COMPOUND_ID>
21579118

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010422

$$$$