LMPK12010276
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.3082   11.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3082   10.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1957    9.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0829   10.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0829   11.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1957   11.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9703    9.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8577   10.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8577   11.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9703   11.8513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8221   11.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7095   11.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5969   11.8958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5969   12.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7095   13.4327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8221   12.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3919   13.3794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9239    9.6987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5880   11.7547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1957    8.8548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7095   14.3408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4228   11.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4152    8.4294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0613    6.5027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2196    5.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8243    8.4067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7268    6.1401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7487    8.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4943    8.1028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3156    7.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3948    6.8109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6491    7.4456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7283    7.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8786    5.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8769    4.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0320    6.1428    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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 13 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 18  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  1     0  0
 27 34  1  0     0  0
 34 35  1  0     0  0
 34 36  2  0     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010276

> <COMMON_NAME>
Delphinidin 3-(6-O-acetylgalactoside)

> <SYSTEMATIC_NAME>
3,5,7,3',4',5'-Hexahydroxyflavylium 3-(6-O-acetylgalactoside)

> <FORMULA>
C23H23O13

> <MASS>
507.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QPXIWIXIRHZIMM-XSEKTIEYSA-O

> <INCHI>
InChI=1S/C23H22O13/c1-8(24)33-7-17-19(30)20(31)21(32)23(36-17)35-16-6-11-12(26)4-10(25)5-15(11)34-22(16)9-2-13(27)18(29)14(28)3-9/h2-6,17,19-21,23,30-32H,7H2,1H3,(H4-,25,26,27,28,29)/p+1/t17-,19+,20+,21-,23-/m1/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](COC(=O)C)O3)=CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101936023

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 564216

> <CITATION>
-

$$$$