LMPK12020114
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.5563    8.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5563    7.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3800    7.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2036    7.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2036    8.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3800    8.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0272    7.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8510    7.4872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8510    8.4384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0272    8.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3800    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6747    7.0117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6747    8.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078    8.4330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3409    8.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3409    9.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078   10.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6747    9.8760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1645   10.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4893    9.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5078   11.3082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8324   12.0729    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
  3 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  6  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 18 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020114

> <COMMON_NAME>
Epicatechin 3',4'-dimethyl ether

> <SYSTEMATIC_NAME>
(2R,3R)-3,5,7-Trihydroxy-3',4'-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>
INGGXWWOTDZRPX-CXAGYDPISA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197156

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14732293

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2902703

> <CITATION>
-

$$$$