Mol:FL5FCDNSS001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 30 0 0 0 0 0 0 0 0999 V2000 -2.0273 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0273 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9147 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4710 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 -0.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1979 -0.1896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 0.1316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3584 -1.6539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 -0.1958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8879 0.1315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8879 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3209 1.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7540 0.7862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4705 -1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5444 -1.3479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 -2.0458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -1.6743 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3016 -1.2733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7090 -2.1196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7539 1.2862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3658 0.4617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 1.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6139 1.6952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0638 2.5883 0.0000 C 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 18 3 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 20 21 1 0 0 0 0 19 21 1 0 0 0 0 8 19 1 0 0 0 0 15 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 16 27 1 0 0 0 0 27 28 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 27 28 M SBL 2 1 29 M SMT 2 OCH3 M SVB 2 29 1.6139 1.6952 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -2.3658 0.4617 S SKP 8 ID FL5FCDNSS001 KNApSAcK_ID C00004974 NAME Rhamnazin 3-O-sulfate CAS_RN - FORMULA C17H14O10S EXACTMASS 410.030767358 AVERAGEMASS 410.35306 SMILES COc(c3)cc(O1)c(c(O)3)C(=O)C(OS(O)(=O)=O)=C1c(c2)cc(OC)c(O)c2 M END