Mol:FL3FA9GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -0.5702 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5424 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 1.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 -0.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 0.0474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6550 0.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 1.0109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 -0.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 1.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7781 1.9928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2111 1.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0139 -0.9159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1263 1.0108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7977 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1786 -1.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4179 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1615 -0.7535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9223 -1.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3451 -1.7346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8418 -1.8062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7977 -1.9928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0349 -0.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8318 -0.5752 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 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 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 23 18 1 0 0 0 0 25 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 29 30 M SBL 1 1 32 M SMT 1 ^CH2OH M SBV 1 32 -7.9181 3.2744 S SKP 8 ID FL3FA9GS0001 KNApSAcK_ID C00004109 NAME Toringin CAS_RN 1329-10-8 FORMULA C21H20O9 EXACTMASS 416.11073223799997 AVERAGEMASS 416.37809999999996 SMILES C(C1Oc(c4)c(C(=O)3)c(cc(O)4)OC(=C3)c(c2)cccc2)(O)C(O)C(O)C(O1)CO M END