Mol:FL5FECGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -1.9630 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9630 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2622 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2941 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9523 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8183 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6564 -0.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 1.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8946 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0940 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6650 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4354 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6271 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9424 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5191 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4067 -1.0990 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 8 19 1 0 0 0 0 16 20 1 0 0 0 0 15 21 1 0 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 1 0 0 0 27 22 1 1 0 0 0 27 28 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 26 19 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 S SKP 8 ID FL5FECGS0001 KNApSAcK_ID C00005632 NAME Quercetagetin 3-rhamnoside CAS_RN 64543-29-9 FORMULA C21H20O12 EXACTMASS 464.095476104 AVERAGEMASS 464.37629999999996 SMILES O(C(C4=O)=C(Oc(c34)cc(O)c(c3O)O)c(c2)cc(c(O)c2)O)C(O1)C(O)C(O)C(O)C(C)1 M END