LMPK12010229
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    8.0286    9.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0286    8.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    7.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6782    8.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6782    9.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    9.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5030    7.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3279    8.2082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3279    9.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5030    9.6367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1683    9.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090    9.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8497    9.6460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8497   10.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090   11.1022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1683   10.6169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5037    7.6622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2041    9.6366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6905   11.1021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8534    6.7799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0090   12.0730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6552   12.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3506    6.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3355    4.4365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4760    3.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5648    6.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8133    3.4127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4974    6.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4211    6.0519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4119    4.9782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4823    4.4518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5588    4.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6292    4.4672    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
 17  8  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  1     0  0
 28 17  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010229

> <COMMON_NAME>
Peonidin 3-galactoside

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(beta-D-galactopyranosyloxy)-1-benzopyrylium

> <FORMULA>
C22H23O11

> <MASS>
463.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZZWPMFROUHHAKY-VRRLNDPFSA-O

> <INCHI>
InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18+,19+,20-,22-/m1/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)=CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11454027

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3859

> <CITATION>
-

$$$$