LMPK12010291
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.6034   11.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6034   10.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   10.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3460   11.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748   11.9558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2173    9.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0887   10.4466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0887   11.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2173   11.9558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596   11.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475   11.4429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7354   11.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7354   12.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475   13.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9596   12.9810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325   11.9555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6233   13.4936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4748    8.9379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8126    9.7839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8475   14.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9275    4.7267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9275    3.6605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8048    5.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6233   11.4430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8051    9.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6381    7.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4791    6.1489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6492    8.0579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0590    5.5170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2293    8.8765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2255    8.7822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6419    7.8693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0623    7.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0661    7.1506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4866    6.3375    0.0000 C   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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 13 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 20  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
 30 22  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010291

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Delphinidin 3-(6''-acetylglucoside)

> <FORMULA>
C23H23O13

> <MASS>
507.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QPXIWIXIRHZIMM-OXUVVOBNSA-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(C)=O)O3)=CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
75678

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15385440

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$