LMPK12020113
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.6009    8.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6009    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4695    7.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3381    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3381    8.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4695    9.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2065    7.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0753    7.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0753    8.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2065    9.3691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4695    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8994    7.3887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8487    9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7273    8.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6058    9.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6058   10.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7273   10.8359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8487   10.3286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7273   11.8495    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4836   10.8354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3524   10.3338    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
  1 11  1  0  0  0  0
  3 12  1  0  0  0  0
  8 13  1  1  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
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020113

> <COMMON_NAME>
Catechin 4'-methyl ether

> <SYSTEMATIC_NAME>
(2R)-2alpha-(3-Hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3beta,5,7-triol

> <FORMULA>
C16H16O6

> <MASS>
304.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZHDMPVIDHWJGTN-XJKSGUPXSA-N

> <INCHI>
InChI=1S/C16H16O6/c1-21-14-3-2-8(4-12(14)19)16-13(20)7-10-11(18)5-9(17)6-15(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
174914

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9995184

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 119260

> <CITATION>
-

$$$$