Mol:FL1BAAGS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -1.9721 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9721 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -1.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 -0.1090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -1.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5432 -0.5215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 -0.1075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8874 -0.5227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8865 -1.3467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6629 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4269 -0.4571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4379 -1.2826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1580 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8667 -1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8554 -0.4382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1354 -0.0355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5163 -1.6265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5579 -0.9098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0331 1.1228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6205 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8222 0.6173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0287 0.3904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4412 1.1052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 0.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3966 1.4819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 1.7590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5163 0.6396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0692 0.6672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9936 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1711 0.5028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2576 0.6507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 -1.7170 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 5 2 0 0 0 0 6 4 2 0 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 5 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 14 17 1 0 0 0 0 8 18 1 0 0 0 0 19 20 1 1 0 0 0 20 21 1 1 0 0 0 22 21 1 1 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 19 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 19 27 1 0 0 0 0 20 28 1 0 0 0 0 21 29 1 0 0 0 0 7 30 2 0 0 0 0 4 31 1 0 0 0 0 31 22 1 0 0 0 0 2 32 1 0 0 0 0 S SKP 8 ID FL1BAAGS0001 KNApSAcK_ID C00014669 NAME Hovetrichoside C;2,4,6,4'-Tetrahydroxy-2-benzylcoumaranone 4-O-glucoside;Maesopsin 4-O-glucoside CAS_RN 210050-28-5 FORMULA C21H22O11 EXACTMASS 450.116211546 AVERAGEMASS 450.39278 SMILES C(C1Oc(c42)cc(O)cc(OC(O)(C4=O)Cc(c3)ccc(O)c3)2)(O)C(O)C(O)C(O1)CO M END