LMPK12020122
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5710   12.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5710   11.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4093   11.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2479   11.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2479   12.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4093   12.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0862   11.0034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245   11.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245   12.4555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0862   12.9395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.9398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7630   11.0034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7630   12.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6109   12.4501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4591   12.9398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4591   13.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6111   14.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7630   13.9189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4093   10.0352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2975   14.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6111   15.3766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2975   12.4555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7630   10.0353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9245    9.5512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6016    9.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6014    8.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5138    7.9709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4262    8.4977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4262    9.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5138   10.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2646    8.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2646   10.0353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3770    9.3931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5138    7.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6260    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 32 33  1  0  0  0  0
 34 35  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
  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
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 17 21  1  0  0  0  0
 15 22  1  0  0  0  0
 12 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 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 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 25  1  0  0  0  0
 28 31  1  0  0  0  0
 27 34  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020122

> <COMMON_NAME>
Epigallocatechin 3-O-(3,5-di-O-methylgallate)

> <SYSTEMATIC_NAME>
3,4-Dihydro-2alpha-(3,4,5-trihydroxyphenyl)-3alpha-(3,5-dimethoxy-4-hydroxybenzoyloxy)-2H-1-benzopyran-5,7-diol

> <FORMULA>
C24H22O11

> <MASS>
486.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QAXISZJBSORHRN-NFBKMPQASA-N

> <INCHI>
InChI=1S/C24H22O11/c1-32-18-5-11(6-19(33-2)22(18)30)24(31)35-20-9-13-14(26)7-12(25)8-17(13)34-23(20)10-3-15(27)21(29)16(28)4-10/h3-8,20,23,25-30H,9H2,1-2H3/t20-,23-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
191928

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9913276

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 397648

> <CITATION>
-

$$$$