LMPK12020139
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5653    9.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5653    8.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    7.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2303    8.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2303    9.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    9.5825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630    7.6597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8955    8.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8955    9.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0630    9.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282    7.6595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282    9.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5704    9.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4127    9.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4127   10.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5704   11.0411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7282   10.5549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2453   11.0355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5704   12.0024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9092   12.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    6.6982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5024    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  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  6  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
 16 19  1  0  0  0  0
  3 22  1  0  0  0  0
 17 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020139

> <COMMON_NAME>
Epicatechin 5,3'-dimethyl ether

> <SYSTEMATIC_NAME>
(2R,3R)-3,7,4'-Trihydroxy-5,3'-dimethoxyflavan

> <FORMULA>
C17H18O6

> <MASS>
318.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BVMRDMUAFYCABS-CXAGYDPISA-N

> <INCHI>
InChI=1S/C17H18O6/c1-21-14-6-10(18)7-15-11(14)8-13(20)17(23-15)9-3-4-12(19)16(5-9)22-2/h3-7,13,17-20H,8H2,1-2H3/t13-,17-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21626709

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 119260

> <CITATION>
-

$$$$