LMPK12020133
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.6004    8.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    7.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    7.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3366    7.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3366    8.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    9.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2048    7.3626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0730    7.8638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0730    8.8663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2048    9.3674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8967    7.3882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8460    9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7241    8.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6022    9.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6022   10.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7241   10.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8460   10.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7241   11.8466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4795    8.8060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4795   10.8330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3477   10.3317    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
 16 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020133

> <COMMON_NAME>
Gallocatechin 4'-methyl ether

> <SYSTEMATIC_NAME>
3,4-Dihydro-2alpha-(3,5-dihydroxy-4-methoxyphenyl)-2H-1-benzopyran-3beta,5,7-triol

> <FORMULA>
C16H16O7

> <MASS>
320.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITDYPNOEEHONAH-DZGCQCFKSA-N

> <INCHI>
InChI=1S/C16H16O7/c1-22-16-11(19)2-7(3-12(16)20)15-13(21)6-9-10(18)4-8(17)5-14(9)23-15/h2-5,13,15,17-21H,6H2,1H3/t13-,15+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70252

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257120

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 212258

> <CITATION>
-

$$$$