LMPK12010434
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
    9.3144    7.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2719    7.7666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2719    8.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144    9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3571    8.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3571    7.7666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144   10.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3571   11.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997   10.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3997    9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2294    9.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2294   10.5306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2719   11.0833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2953   11.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2341   10.6038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1732   11.1460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1732   12.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2341   12.7722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2953   12.2303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6198   10.9810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1364    8.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7286   12.5509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3144    6.3372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2341   13.5002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7931   10.7880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9288   13.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4818   11.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6597    5.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8502    6.0280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8475    9.8733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5449    8.8771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5286    6.9136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9781    7.4192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7412    5.6038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9837    8.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8393    8.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6895    8.3911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6811    7.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8256    6.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8174    5.9418    0.0000 C   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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  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
  3 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13  7  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
  9 20  1  0  0  0  0
  1 23  1  0  0  0  0
 11 21  1  0  0  0  0
 18 24  1  0  0  0  0
 17 22  1  0  0  0  0
 16 25  1  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 23 28  1  0  0  0  0
 23 29  2  0  0  0  0
 34 40  1  0     0  0
 39 33  1  0     0  0
 33 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  1     0  0
 35 21  1  1     0  0
 36 30  1  6     0  0
 37 31  1  1     0  0
 38 32  1  6     0  0
M  CHG  1  13   1
M  END
> <LM_ID>
LMPK12010434

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Malvidin 3-glucoside-pyruvate

> <FORMULA>
C26H25O14

> <MASS>
561.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QVULQDHVHOUFCX-AQFMKAHKSA-O

> <INCHI>
InChI=1S/C26H24O14/c1-35-14-3-9(4-15(36-2)19(14)29)23-24(40-26-22(32)21(31)20(30)17(8-27)39-26)11-7-16(25(33)34)37-12-5-10(28)6-13(38-23)18(11)12/h3-7,17,20-22,26-27,30-32H,8H2,1-2H3,(H2-,28,29,33,34)/p+1/t17-,20-,21+,22-,26+/m1/s1

> <SMILES>
C1(C(=O)O)OC2C=C(O)C=C3[O+]=C(C4C=C(OC)C(O)=C(OC)C=4)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(C=23)C=1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0036348

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257034

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 29760

> <CITATION>
-

$$$$