LMPK12010002
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    5.5966    7.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5966    6.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    5.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185    6.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185    7.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    7.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795    5.7101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6404    6.1494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6404    7.0281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8795    7.4675    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.3958    8.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3958    7.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1283    7.0427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8607    7.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8607    8.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1283    8.7343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3576    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2169    5.8166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4732    8.6650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1283    9.3245    0.0000 O   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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  9 12  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010002

> <COMMON_NAME>
Cyanidin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H11O6

> <MASS>
287.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VEVZSMAEJFVWIL-UHFFFAOYSA-O

> <INCHI>
InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1

> <SMILES>
C1(O)C=C2[O+]=C(C3=CC=C(O)C(O)=C3)C(O)=CC2=C(O)C=1

> <KEGG_ID>
C05905

> <HMDB_ID>
HMDB0125127

> <CHEBI_ID>
27843

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
128861

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$