LMPK12020249
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.5141    8.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5141    7.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850    6.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2559    7.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2559    8.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3850    8.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1268    6.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9976    7.2808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9976    8.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1268    8.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5872    8.1373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8684    8.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7468    8.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6248    8.7893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6248    9.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7468   10.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8684    9.8033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6432    8.7893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7468   11.3227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5016   10.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2071    9.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5624    6.4201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5627    4.7166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5923    4.7331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0997    7.2925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2779    5.5232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0896    7.2869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5772    6.4283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0750    5.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0899    5.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6023    6.4420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6170    6.4503    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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  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
 16 19  1  0  0  0  0
 14 11  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 27 11  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12020249

> <COMMON_NAME>
Auriculoside

> <SYSTEMATIC_NAME>
7,3',5'-Trihydroxy-4'-methoxyflavan 3'-O-glucoside

> <FORMULA>
C22H26O10

> <MASS>
450.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IJMWYFHXJWRHQH-NMXOTBGBSA-N

> <INCHI>
InChI=1S/C22H26O10/c1-29-21-13(25)6-11(14-5-3-10-2-4-12(24)8-15(10)30-14)7-16(21)31-22-20(28)19(27)18(26)17(9-23)32-22/h2,4,6-8,14,17-20,22-28H,3,5,9H2,1H3/t14?,17-,18-,19+,20-,22-/m1/s1

> <SMILES>
C1(O)C=C2OC(C3C=C(O)C(OC)=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)C=3)CCC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5321189

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 205027

> <CITATION>
-

$$$$