LMPK12010425
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    7.3648    8.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3648    7.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2495    7.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1344    7.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1344    8.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2495    9.4026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0190    7.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9039    7.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9039    8.8919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0190    9.4026    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7883    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6902    8.8819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5919    9.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5919   10.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6902   10.9644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7883   10.4436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6902   12.0053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4803    9.4024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4934   10.9641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2495    6.3381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5656    7.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4803    7.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3172    8.2281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8876    7.1117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7041    5.1983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2601    5.9090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8246    3.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3497    6.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2255    7.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0119    6.7107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9201    5.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0443    5.3533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9525    4.3965    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
 15 17  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
 21  8  1  0  0  0  0
  2 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 21  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010425

> <COMMON_NAME>
6-Hydroxycyanidin 3-glucoside

> <SYSTEMATIC_NAME>
3,5,6,7,3',4'-Hexahydroxyflavylium 3-glucoside

> <FORMULA>
C21H21O12

> <MASS>
465.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WCDLLXMXLHQESZ-FKRBRYKNSA-O

> <INCHI>
InChI=1S/C21H20O12/c22-6-14-17(28)18(29)19(30)21(33-14)32-13-4-8-12(5-11(25)16(27)15(8)26)31-20(13)7-1-2-9(23)10(24)3-7/h1-5,14,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t14-,17-,18+,19-,21-/m1/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(O)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)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101192438

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56741

> <CITATION>
-

$$$$