Mol:Epigallocatechin gallate
From Metabolomics.JP
ACD/Labs12010717192D 33 36 0 0 1 0 0 0 0 0 1 V2000 25.7970 -7.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7970 -8.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6450 -6.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6450 -9.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4932 -7.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4932 -8.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1006 -7.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1006 -8.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9487 -6.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.9487 -9.4061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2523 -9.4061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2523 -10.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4042 -11.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5560 -10.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7079 -11.4012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.7079 -12.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5560 -13.3962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4042 -12.7312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2523 -6.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2523 -5.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4043 -7.4111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4043 -4.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5561 -6.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5561 -5.4161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3414 -6.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.6450 -10.7361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.4043 -3.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7079 -4.7512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7079 -7.4111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.1006 -11.4012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8597 -10.7362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.8597 -13.3962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.5560 -14.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 8 7 1 0 0 0 0 9 7 1 0 0 0 0 10 8 1 0 0 0 0 1 9 1 0 0 0 0 2 10 1 0 0 0 0 2 1 1 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 8 11 1 6 0 0 0 16 15 1 0 0 0 0 14 15 2 0 0 0 0 17 16 2 0 0 0 0 13 14 1 0 0 0 0 18 17 1 0 0 0 0 18 13 2 0 0 0 0 20 19 1 0 0 0 0 21 19 2 0 0 0 0 22 20 2 0 0 0 0 23 21 1 0 0 0 0 24 22 1 0 0 0 0 24 23 2 0 0 0 0 7 19 1 6 0 0 0 5 25 1 0 0 0 0 4 26 1 0 0 0 0 22 27 1 0 0 0 0 24 28 1 0 0 0 0 23 29 1 0 0 0 0 12 30 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 S SKP 5 ID Epigallocatechin gallate FORMULA C22H18O11 EXACTMASS 458.084911418 AVERAGEMASS 458.37172000000004 SMILES Oc(c4)cc(O1)c(c(O)4)CC(OC(=O)c(c3)cc(O)c(O)c(O)3)C1c(c2)cc(O)c(O)c(O)2 M END
