LMPK12020123
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
   11.9715    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9715    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8332    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6948    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6948    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8332    9.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    7.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4185    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4185    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5565    9.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1102    9.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2359    7.3805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1857    9.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0572    8.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9289    9.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9289   10.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0572   10.8004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1857   10.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8332    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7997   10.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0572   11.8057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7997    8.7879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2490    8.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875    9.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2490    7.8531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3875   10.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022   10.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167   10.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6167    9.3449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022    8.8336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.8777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5022   11.8994    0.0000 O   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
  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
 11 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 24 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 24  1  0  0  0  0
 29 31  1  0  0  0  0
 28 32  1  0  0  0  0
 27 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020123

> <COMMON_NAME>
Epigallocatechin 7-O-gallate

> <SYSTEMATIC_NAME>
(2R,3R) -3,5,7,3',4',5'-Hexahydroxyflavan 7-O-gallate

> <FORMULA>
C22H18O11

> <MASS>
458.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YKMHMATZTMIDNU-DYESRHJHSA-N

> <INCHI>
InChI=1S/C22H18O11/c23-12-5-10(32-22(31)9-3-15(26)20(30)16(27)4-9)6-18-11(12)7-17(28)21(33-18)8-1-13(24)19(29)14(25)2-8/h1-6,17,21,23-30H,7H2/t17-,21-/m1/s1

> <SMILES>
C1(OC(=O)C2C=C(O)C(O)=C(O)C=2)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@H](O)CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257113

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 138033

> <CITATION>
-

$$$$