LMPK12110242
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
   10.5261    8.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5261    7.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4033    7.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2804    7.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2804    8.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4033    9.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1574    7.2209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0345    7.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0345    8.7398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1574    9.2462    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1574    6.4312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6494    9.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4033    6.2085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0088    9.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9329    8.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8573    9.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8573   10.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9329   10.8795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0088   10.3458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7809   10.8792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5047    5.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8127    4.8061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1259    5.7827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125    7.7364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    7.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6613    7.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6613    6.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8125    5.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9693    6.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9693    7.2479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1259    7.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6733   10.1958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6734   12.1496    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3627   13.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2113   10.6846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3639   10.1938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5180   10.6821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5194   11.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3640   12.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2098   11.6591    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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  1 12  1  0  0  0  0
  3 13  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
 14  9  1  0  0  0  0
 17 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
 40 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  0     0  0
 37 32  1  6     0  0
 38 33  1  1     0  0
 39 34  1  6     0  0
 36  6  1  1     0  0
 26  2  1  1     0  0
M  END
> <LM_ID>
LMPK12110242

> <COMMON_NAME>
Vicenin 3

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O14

> <MASS>
564.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MMDUKUSNQNWVET-MCIQUCDDSA-N

> <INCHI>
InChI=1S/C26H28O14/c27-6-13-18(32)21(35)23(37)26(40-13)15-19(33)14-10(29)5-12(8-1-3-9(28)4-2-8)39-24(14)16(20(15)34)25-22(36)17(31)11(30)7-38-25/h1-5,11,13,17-18,21-23,25-28,30-37H,6-7H2/t11-,13-,17+,18-,21+,22-,23-,25+,26+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
142905

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185958

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$