LMPK12020117
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    7.5882   10.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5882    9.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4343    9.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2802    9.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2802   10.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4343   11.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1263    9.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9722    9.9571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9722   10.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1263   11.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   11.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8280   11.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6836   10.9339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5395   11.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5395   12.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6836   12.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8280   12.4160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6836   13.8982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8280    9.4630    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3951   12.9100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8280    8.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9722    7.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4343    8.4806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6836    7.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3951   10.9339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3950    7.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3950    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3305    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2660    6.9007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2660    7.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3305    8.5210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5392    8.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1217    6.4067    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
  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
 16 18  1  0  0  0  0
  8 19  1  6  0  0  0
 15 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
  3 23  1  0  0  0  0
 21 24  1  0  0  0  0
 14 25  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 24 32  2  0  0  0  0
 26 32  1  0  0  0  0
 29 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020117

> <COMMON_NAME>
Epigallocatechin 3-O-p-coumarate

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

> <FORMULA>
C24H20O9

> <MASS>
452.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HKPGWUPXXPIOAN-XMTAIGAMSA-N

> <INCHI>
InChI=1S/C24H20O9/c25-14-4-1-12(2-5-14)3-6-22(30)32-21-11-16-17(27)9-15(26)10-20(16)33-24(21)13-7-18(28)23(31)19(29)8-13/h1-10,21,24-29,31H,11H2/b6-3+/t21-,24-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0038362

> <CHEBI_ID>
136601

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6474788

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4442

> <CITATION>
-

$$$$