LMPK12010110
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.8421    9.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8421    8.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    7.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5552    8.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5552    9.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    9.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4118    7.5878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2682    8.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2682    9.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4118    9.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922    9.0647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8599    9.5656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8599   10.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9922   11.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0136    7.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9861    9.5656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    6.5993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7261   11.0677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5898    9.1441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8048    6.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7899    4.5494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9868    3.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1031    6.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3742    3.5568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0076    6.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9032    6.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8943    5.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9928    4.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0973    5.0899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1957    4.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  8 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 13 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 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  1     0  0
 27 17  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010110

> <COMMON_NAME>
Chrysanthemin

> <SYSTEMATIC_NAME>
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium

> <FORMULA>
C21H21O11

> <MASS>
449.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Cyanidin 3-O-glucoside; Cyanidin 3-glucoside; Asterin; Kuromanin

> <INCHI_KEY>
RKWHWFONKJEUEF-GQUPQBGVSA-O

> <INCHI>
InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1

> <SMILES>
C1(O)C=C2[O+]=C(C3C=CC(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC2=C(O)C=1

> <KEGG_ID>
C08604

> <HMDB_ID>
-

> <CHEBI_ID>
28426

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441667

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4295

> <CITATION>
-

$$$$