LMPK12010001
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.6014    7.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6014    6.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1355    6.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1355    7.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    7.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9026    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6696    6.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6696    7.0443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9026    7.4872    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.4310    8.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4310    7.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1694    7.0591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    7.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9076    8.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1694    8.7642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.3916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3685    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2506    5.8232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5251    8.6944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1694    9.3592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4905    7.1489    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
 14 22  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010001

> <COMMON_NAME>
Delphinidin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H11O7

> <MASS>
303.05

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JKHRCGUTYDNCLE-UHFFFAOYSA-O

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

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

> <KEGG_ID>
C05908

> <HMDB_ID>
HMDB0130399

> <CHEBI_ID>
28436

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
128853

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$