Mol:FL3FAAGS0049
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 40 0 0 0 0 0 0 0 0999 V2000 0.4303 0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4303 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 0.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 -0.6101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 -0.3236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4152 0.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 0.5359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9189 -1.0568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 0.2438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 0.5358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9227 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4169 1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 1.1198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 0.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 1.4117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9265 -1.0571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3493 0.2523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9616 -0.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4033 -0.0423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7909 -0.1469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2560 0.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8264 0.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1418 -0.0450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5660 -0.2889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 -0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7971 -0.8375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9608 -1.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 0.1379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8242 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4283 -0.0240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0669 -0.6249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2248 0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4279 0.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 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 1 18 1 0 0 0 0 15 19 1 0 0 0 0 20 3 1 0 0 0 0 21 22 1 1 0 0 0 22 23 1 1 0 0 0 24 23 1 1 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 18 24 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 27 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 23 35 1 0 0 0 0 26 36 1 0 0 0 0 36 37 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 36 37 M SBL 1 1 39 M SMT 1 ^CH2OH M SBV 1 39 -6.3735 4.7821 S SKP 8 ID FL3FAAGS0049 KNApSAcK_ID C00004189 NAME Apigenin 7-(3'',4''-diacetylglucoside) CAS_RN 84323-21-7 FORMULA C25H24O12 EXACTMASS 516.126776232 AVERAGEMASS 516.4508599999999 SMILES Oc(c3)c(C(=O)2)c(cc3OC(C4O)OC(CO)C(C(OC(C)=O)4)OC(C)=O)OC(=C2)c(c1)ccc(c1)O M END