Marvin 01211310212D 33 36 0 0 0 0 999 V2000 -4.3306 -8.9291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3318 -9.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6169 -10.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6187 -8.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9034 -8.9255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9000 -9.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1847 -10.1630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4683 -9.7481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4717 -8.9196 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1915 -8.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7585 -8.5049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0438 -8.9176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6689 -8.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6668 -7.6777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0540 -7.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7637 -7.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3845 -8.9142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -7.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7527 -10.1587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6164 -10.9944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0452 -8.5168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 -11.4064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 -12.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1875 -10.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6152 -12.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6150 -13.4666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8997 -13.8794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1831 -13.4620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1868 -12.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4669 -13.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8980 -14.7044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3294 -13.8792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4717 -8.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5 4 2 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 4 1 1 0 0 0 0 13 17 1 0 0 0 0 5 10 1 0 0 0 0 14 18 1 0 0 0 0 6 7 1 0 0 0 0 8 19 1 6 0 0 0 7 8 1 0 0 0 0 3 20 1 0 0 0 0 8 9 1 0 0 0 0 1 21 1 0 0 0 0 9 10 1 0 0 0 0 20 22 1 0 0 0 0 5 6 1 0 0 0 0 22 23 1 0 0 0 0 9 11 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 11 12 2 0 0 0 0 25 26 1 0 0 0 0 2 3 1 0 0 0 0 26 27 2 0 0 0 0 12 13 1 0 0 0 0 27 28 1 0 0 0 0 3 6 2 0 0 0 0 28 29 2 0 0 0 0 29 23 1 0 0 0 0 13 14 2 0 0 0 0 28 30 1 0 0 0 0 1 2 2 0 0 0 0 27 31 1 0 0 0 0 14 15 1 0 0 0 0 26 32 1 0 0 0 0 9 33 1 1 0 0 0 M END > CHEBI:65848 > (-)-epicatechin-5-gallate > A gallate ester resulting from the formal condensation of gallic acid with 5-hydroxy group of (−)-epicatechin. Isolated from Orostachys japonica, it acts as an inhibitor of the enzyme μ-calpain (EC 3.4.22.52). > 3 > (2R,3R)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-3,4-dihydro-2H-chromen-5-yl 3,4,5-trihydroxybenzoate > C22H18O10 > 442.37230 > 442.09000 > 0 > [H][C@@]1(Oc2cc(O)cc(OC(=O)c3cc(O)c(O)c(O)c3)c2C[C@H]1O)c1ccc(O)c(O)c1 > InChI=1S/C22H18O10/c23-11-6-18-12(8-17(28)21(31-18)9-1-2-13(24)14(25)3-9)19(7-11)32-22(30)10-4-15(26)20(29)16(27)5-10/h1-7,17,21,23-29H,8H2/t17-,21-/m1/s1 > LVJJFMLUMNSUFN-DYESRHJHSA-N > 18892308 > 18977282 $$$$