LMPK12020142
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
   11.9480    9.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0758    8.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2080    9.2742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3404    8.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3404    7.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2080    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0758    7.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    9.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    8.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    7.7713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    7.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4727    6.2630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9480    7.2676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.2770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8332    8.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7183    9.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7183   10.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8332   10.8099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9480   10.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4345   10.7124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5696    8.7853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4421    9.2891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  2  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
 11 12  1  0  0  0  0
  9 14  1  0  0  0  0
  7 13  1  1  0  0  0
  1 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  1  1  0  0  0  0
 17 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020142

> <COMMON_NAME>
Catechin-3'-methyl ether

> <SYSTEMATIC_NAME>
(2R)-3,4-Dihydro-2-(4-hydroxy-3-methoxyphenyl)-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>
NJHJXXLBWQXMRO-XJKSGUPXSA-N

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

> <SMILES>
C1(C=CC(O)=C(OC)C=1)[C@@H]1[C@@H](O)CC2C(O)=CC(O)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0041507

> <CHEBI_ID>
149610

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14332899

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3349

> <CITATION>
-

$$$$