LMPK12020093
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    7.6029   12.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6029   11.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4737   10.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3447   11.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3447   12.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4737   12.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2155   10.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0863   11.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0863   12.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2155   12.6746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.6742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9126   10.6891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8618   12.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7427   12.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6235   12.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6235   13.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7427   14.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8618   13.6365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5908   13.9507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4737    9.6583    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9126    9.2700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2479    8.8862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6954    7.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5468    7.3433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3982    7.8349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3982    8.8180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5468    9.3096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2495    7.3435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5468    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7427   15.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2495    9.3094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1203    8.8067    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
  8 12  1  6  0  0  0
  9 13  1  6  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
  3 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 23  1  0  0  0  0
 26 29  1  0  0  0  0
 25 30  1  0  0  0  0
 17 31  1  0  0  0  0
 27 32  1  0  0  0  0
 32 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020093

> <COMMON_NAME>
Epicatechin 3-O-(3-O-methylgallate)

> <SYSTEMATIC_NAME>
(2R)-3,4-Dihydro-2alpha-(3,4-dihydroxyphenyl)-2H-1-benzopyran-3alpha,5,7-triol 3- (3,4-dihydroxy-5-methoxybenzoate)

> <FORMULA>
C23H20O10

> <MASS>
456.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XGTBMCGGGJLOPS-IFMALSPDSA-N

> <INCHI>
InChI=1S/C23H20O10/c1-31-19-6-11(5-17(28)21(19)29)23(30)33-20-9-13-15(26)7-12(24)8-18(13)32-22(20)10-2-3-14(25)16(27)4-10/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0037945

> <CHEBI_ID>
136553

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
467296

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4442

> <CITATION>
-

$$$$