LMPK12010428
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    6.9208    8.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9208    7.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7816    7.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422    7.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422    8.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7816    9.0414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5028    7.0539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3634    7.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3634    8.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5028    9.0414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2236    9.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008    8.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9779    9.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9779   10.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008   10.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2236   10.0540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548   10.5602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7816    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2236    7.0540    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1008   11.5729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.0540    0.0000 O   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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
  2 22  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010428

> <COMMON_NAME>
6-Hydroxycyanidin

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

> <FORMULA>
C15H11O7

> <MASS>
303.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PWDAKBACEAGRSH-UHFFFAOYSA-O

> <INCHI>
InChI=1S/C15H10O7/c16-8-2-1-6(3-9(8)17)15-11(19)4-7-12(22-15)5-10(18)14(21)13(7)20/h1-5H,(H5-,16,17,18,19,20,21)/p+1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O)=CC=2C(O)=C1O

> <KEGG_ID>
C08646

> <HMDB_ID>
HMDB0130398

> <CHEBI_ID>
28090

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441697

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 56741

> <CITATION>
-

$$$$