LMPK12010350
  LIPID_MAPS_STRUCTURE_DATABASE

 45 49  0     0  0            999 V2000
    7.7671   13.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7671   12.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6843   11.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6013   12.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6013   13.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6843   13.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5184   11.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4356   12.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4356   13.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5184   13.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3522   13.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870   13.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2217   13.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2217   14.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870   15.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3522   14.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8503   13.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0060   15.4245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6843   10.7161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1164   11.6946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9978   13.4444    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2870   16.3979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9298   17.0409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558    7.5385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9563   10.8960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1229    8.9890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5573    7.8956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5209   10.2021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3061   10.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1733   10.3493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2557    9.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4728    8.8467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6056    9.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8227    8.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1969   12.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0796   12.0075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7178   10.2075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2187    9.8212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4340    8.7486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8957   10.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5160   11.4535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4594   11.2787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7784   10.3789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1581    9.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4772    8.7502    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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 13 21  1  0  0  0  0
 15 22  1  0  0  0  0
 22 23  1  0  0  0  0
 33 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  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 30 25  1  6     0  0
 31 26  1  1     0  0
 32 27  1  6     0  0
 39 45  1  0     0  0
 44 38  1  0     0  0
 38 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  1     0  0
 40 25  1  1     0  0
 41 35  1  6     0  0
 42 36  1  1     0  0
 43 37  1  6     0  0
 24 34  1  0     0  0
 29 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010350

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Petunidin 3-sophoroside

> <FORMULA>
C28H33O17

> <MASS>
641.17

> <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>
FL7AAHGL0002

> <PUBCHEM_COMPOUND_ID>
102574435

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010350

$$$$