LMPK12020148
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.1185    9.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1185    8.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9423    7.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660    8.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7660    9.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9423    9.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5899    7.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4138    8.4186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4138    9.3699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5899    9.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2378    7.9430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2378    9.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0710    9.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9043    9.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9043   10.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0710   11.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2378   10.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0710   12.2404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9423    6.9916    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0353    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   11.3754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7282   11.2837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8212   10.6525    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
 23 24  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
  8 11  1  1  0  0  0
  9 12  1  6  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
 16 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 21  1  0  0  0  0
 15 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020148

> <COMMON_NAME>
Catechin 5,7,4'-trimethyl ether

> <SYSTEMATIC_NAME>
(2R,3S) -3,3'-Dihydroxy-5,7,4'-trimethoxyflavan

> <FORMULA>
C18H20O6

> <MASS>
332.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WCBCDLSKTYUDDL-KBXCAEBGSA-N

> <INCHI>
InChI=1S/C18H20O6/c1-21-11-7-16(23-3)12-9-14(20)18(24-17(12)8-11)10-4-5-15(22-2)13(19)6-10/h4-8,14,18-20H,9H2,1-3H3/t14-,18+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193310

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21633048

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 119260

> <CITATION>
-

$$$$