Mol:FL63AAGS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -2.5941 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5941 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 -0.3943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5581 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0401 -0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 -0.3943 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.5221 0.2038 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0401 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 0.2013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 0.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5182 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 1.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5404 1.3946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 0.5029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0041 -0.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0761 -1.2901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3232 -0.5024 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0550 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5708 -0.8196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0897 -0.9670 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3580 -0.5024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8422 -0.6498 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.8387 -0.3260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8791 -0.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7862 -0.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9449 -1.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 -2.4852 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 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 9 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 17 14 1 0 0 0 0 1 18 1 0 0 0 0 8 19 1 0 0 0 0 3 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 1 0 0 0 23 24 1 1 0 0 0 25 24 1 1 0 0 0 25 26 1 0 0 0 0 26 21 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 0 0 0 0 22 19 1 0 0 0 0 25 29 1 0 0 0 0 24 30 1 0 0 0 0 30 31 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 30 31 M SBL 1 1 33 M SMT 1 CH2OH M SVB 1 33 2.3976 -0.995 S SKP 8 ID FL63AAGS0003 KNApSAcK_ID C00008832 NAME Arthromerin B CAS_RN - FORMULA C21H24O10 EXACTMASS 436.136946988 AVERAGEMASS 436.40926 SMILES C([C@@H]1OC(C3c(c4)ccc(O)c4)Cc(c2O3)c(cc(O)c2)O)(O)C(O)[C@@H](O)[C@H](O1)CO M END