LMPK12020140
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    6.2352    9.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2352    8.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    8.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5814    8.6482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5814    9.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    9.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2544    8.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9274    8.6482    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.9274    9.4254    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2544    9.8139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.8184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    9.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2890    9.4254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9697    9.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9697   10.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2890   10.9975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082   10.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    8.2552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6505   10.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    7.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9274    7.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2890    7.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2891    6.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0337    5.7861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7785    6.2161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7785    7.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0337    7.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0337    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4593    5.8230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4593    7.4691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2890   11.7836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3713   12.4084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6505    9.4254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7329   10.0503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9083    7.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8013    6.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  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
  9 12  1  6  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  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 12  1  0  0  0  0
  8 18  1  6  0  0  0
 15 19  1  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 24 28  1  0  0  0  0
 25 29  1  0  0  0  0
 26 30  1  0  0  0  0
 16 31  1  0  0  0  0
 14 33  1  0  0  0  0
  3 35  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020140

> <COMMON_NAME>
Epigallocatechin 5,3',5'-trimethyl ether 3-O-gallate

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O11

> <MASS>
500.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SMSODIBAMOCYJH-ZJSXRUAMSA-N

> <INCHI>
InChI=1S/C25H24O11/c1-32-17-8-13(26)9-18-14(17)10-21(36-25(31)12-4-15(27)22(29)16(28)5-12)24(35-18)11-6-19(33-2)23(30)20(7-11)34-3/h4-9,21,24,26-30H,10H2,1-3H3/t21-,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257124

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$