LMPK12010202
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    8.6241   10.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248   10.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5248   11.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241   12.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7231   11.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7231   10.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4257   10.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264   10.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3264   11.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4257   12.2869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1845   12.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0458   11.7650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9068   12.2621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9068   13.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0458   13.7537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1845   13.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8014   13.7729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9862   12.1921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6241    9.2319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9717   10.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0675   14.5648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2452    4.9430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439    5.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6091    4.9766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9439    6.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3518    5.7194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1101    4.9613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1101    4.1616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0144    9.7096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7108    7.7528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3657    6.1765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6468    8.3153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8407    5.6517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3205    9.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3417    8.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6896    7.9402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0170    7.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9957    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3231    6.5516    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
  2  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  3  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
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 33 39  1  0     0  0
 38 32  1  0     0  0
 32 34  1  0     0  0
 34 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  1     0  0
 34 20  1  1     0  0
 35 29  1  6     0  0
 36 30  1  1     0  0
 37 31  1  6     0  0
 27 33  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010202

> <COMMON_NAME>
Cyanidin 3-O-(6''-O-succinyl-beta-glucopyranoside)

> <SYSTEMATIC_NAME>
3,5,7,3',4'-Pentahydroxyflavylium 3-O-(6"-O-succinyl-beta-glucopyranoside)

> <FORMULA>
C25H25O14

> <MASS>
549.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MIYGQTFETYBMKF-WVXUANQFSA-O

> <INCHI>
InChI=1S/C25H24O14/c26-11-6-14(28)12-8-17(24(37-16(12)7-11)10-1-2-13(27)15(29)5-10)38-25-23(35)22(34)21(33)18(39-25)9-36-20(32)4-3-19(30)31/h1-2,5-8,18,21-23,25,33-35H,3-4,9H2,(H4-,26,27,28,29,30,31)/p+1/t18-,21-,22+,23-,25-/m1/s1

> <SMILES>
C1(O)=CC(O)=CC2[O+]=C(C3C=C(O)C(O)=CC=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)CCC(=O)O)O3)=CC1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100917934

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 29695

> <CITATION>
-

$$$$