LMPK12020138
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2479    7.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2479    6.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9415    6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6350    6.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6350    7.7762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9415    8.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3286    6.5750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0222    6.9754    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0222    7.7762    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3286    8.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.1767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7159    6.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7159    8.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4174    7.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1190    8.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1190    8.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4174    9.3919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7159    8.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8125    9.3873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7327    8.8560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9415    5.7741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8617    5.2429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  1  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
  1 11  1  0  0  0  0
  8 12  1  1  0  0  0
  9 13  1  6  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
  3 21  1  0  0  0  0
 16 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020138

> <COMMON_NAME>
Afzelechin 5,4'-dimethyl ether

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WKYDSIJBQQASGS-WMLDXEAASA-N

> <INCHI>
InChI=1S/C17H18O5/c1-20-12-5-3-10(4-6-12)17-14(19)9-13-15(21-2)7-11(18)8-16(13)22-17/h3-8,14,17-19H,9H2,1-2H3/t14-,17+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197150

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257123

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$