Mol:FLIFUNNP0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -1.5769 -0.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8908 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 0.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 0.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2629 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 1.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8633 0.9562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8897 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6964 2.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6890 2.2393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -0.7274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1497 -1.4220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -0.3141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 0.4413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 0.8190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5660 0.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -1.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 -1.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5287 -0.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0377 -1.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6890 -1.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8745 -2.4149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5593 -2.9608 0.0000 C 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 5 1 0 0 0 0 8 10 1 1 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 3 13 1 0 0 0 0 2 14 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 15 1 0 0 0 0 17 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 18 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 23 28 1 0 0 0 0 28 29 1 0 0 0 0 S SKP 8 ID FLIFUNNP0001 KNApSAcK_ID C00011148 NAME Rotenol CAS_RN 3276-12-8 FORMULA C23H24O6 EXACTMASS 396.1572885 AVERAGEMASS 396.43306 SMILES c(c1)c(C(C(C3)c(c4)c(cc(OC)c4OC)OC3)=O)c(c(C2)c(OC2C(C)=C)1)O M END
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