LMPK12112488
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    7.6334   11.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6615   10.9283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5312   10.4588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3727   10.9772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3446   11.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4752   12.4348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2424   10.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0839   11.0259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558   12.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1861   12.4835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2644    9.7374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8970   12.5321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7834   12.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6410   12.5818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6123   13.5886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   14.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8683   13.5389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7641   12.3859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1048   10.2080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4845   14.0923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5596    9.4713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5131   12.0782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7260   15.0744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4692   15.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4708   12.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6359    8.9046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2726    6.9266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3816    6.2562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9757    8.8816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8488    6.5543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9249    9.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6904    8.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5070    7.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5616    7.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7960    7.8947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8505    7.5595    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
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 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 12  1  0  0  0  0
  1 18  1  0  0  0  0
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 14 22  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 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 19  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  END
> <LM_ID>
LMPK12112488

> <COMMON_NAME>
Syringetin 3-glucoside

> <SYSTEMATIC_NAME>
3-(beta-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C23H24O13

> <MASS>
508.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JMFWYRWPJVEZPV-AVGVHVDKSA-N

> <INCHI>
InChI=1S/C23H24O13/c1-32-12-3-8(4-13(33-2)16(12)27)21-22(18(29)15-10(26)5-9(25)6-11(15)34-21)36-23-20(31)19(30)17(28)14(7-24)35-23/h3-6,14,17,19-20,23-28,30-31H,7H2,1-2H3/t14-,17-,19+,20-,23+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192639

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321577

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 54800

> <CITATION>
-

$$$$