LMPK12010438
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    7.4798   11.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4798   10.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3616    9.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434   10.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434   11.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3616   11.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1251    9.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0068   10.1076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0068   11.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1251   11.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288   11.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107   11.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924   11.6004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5924   12.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7107   13.1277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288   12.6185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750   13.0704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6713   11.6757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3616    8.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2434    8.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1251    8.5804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2576    7.1956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3818    6.7069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1537    6.8291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9659    9.6800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9428    9.8389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0688    8.2060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2176    6.4197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1036    7.9676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9407    5.5587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5288    8.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5171    8.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0805    8.1265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6548    7.2334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6665    7.1540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2408    6.2608    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  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  2  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
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  7  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
  8 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010438

> <COMMON_NAME>
5-Carboxypyranopelargonidin 3-O-beta-glucopyranoside

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxy-5-carboxypyranoflavylium 3-O-beta-glucopyranoside

> <FORMULA>
C24H21O12

> <MASS>
501.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AXDSYHMPWOHFSW-KXJGTOPRSA-O

> <INCHI>
InChI=1S/C24H20O12/c25-8-16-18(28)19(29)20(30)24(35-16)36-22-12-7-15(23(31)32)33-13-5-11(27)6-14(17(12)13)34-21(22)9-1-3-10(26)4-2-9/h1-7,16,18-20,24-25,28-30H,8H2,(H2-,26,27,31,32)/p+1/t16-,18-,19+,20-,24+/m1/s1

> <SMILES>
C1(O)=CC2=[O+]C(C3C=CC(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C3C=C(C(O)=O)OC(C2=3)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257038

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3747

> <CITATION>
14759532

$$$$