LMPK12010349
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.6680    9.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6680    7.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037    7.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    7.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    9.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037    9.5812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4754    7.4201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4111    7.9603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4111    9.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4754    9.5812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465    9.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3003    9.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2539    9.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2539   10.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3003   11.2328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3465   10.6823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0338   11.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6037    6.3400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1477    7.3948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2076    9.0304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3003   11.9672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8287   12.4955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0332    8.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5574    6.7684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1943    4.8047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7291    5.7615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1743    3.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9089    6.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8516    7.0841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6147    6.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4331    5.4509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4904    5.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3088    4.1335    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
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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
 29 20  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010349

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Petunidin 3-glucoside

> <FORMULA>
C22H23O12

> <MASS>
479.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C12139

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
31985

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL7AAHGL0001

> <PUBCHEM_COMPOUND_ID>
443651

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12010349

$$$$