LMPK12020110
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   12.4887    8.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4889    7.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3706    7.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2525    7.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2525    8.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3706    9.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1345    7.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0163    7.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0163    8.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1345    9.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8983    9.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7875    8.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6767    9.1226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6767   10.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7875   10.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8983   10.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5588   10.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6068    9.1226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8983    7.0861    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3706    6.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7875   11.3844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4895   11.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5926    7.1189    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8499    6.1294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1270    7.1433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8712    9.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3728    8.5045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7382    8.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7310    7.6260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8569    7.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9956    7.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0027    8.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    9.1470    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 11  1  6  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
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  6  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 28 18  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12020110

> <COMMON_NAME>
Symplocoside

> <SYSTEMATIC_NAME>
(2R,3R)-3,5,7,4'-Tetrahydroxy-3'-methoxyflavan 7-O-glucoside

> <FORMULA>
C22H26O11

> <MASS>
466.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NSWUFLQDWPOETD-UHGNYUERSA-N

> <INCHI>
InChI=1S/C22H26O11/c1-30-16-4-9(2-3-12(16)24)21-14(26)7-11-13(25)5-10(6-15(11)32-21)31-22-20(29)19(28)18(27)17(8-23)33-22/h2-6,14,17-29H,7-8H2,1H3/t14-,17-,18-,19+,20-,21-,22-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2O[C@H](C3C=C(OC)C(O)=CC=3)[C@H](O)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14282770

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 335935

> <CITATION>
-

$$$$