Mol:FL3FA9NF0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -0.8723 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8723 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -0.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -2.0563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5566 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1579 -0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 -0.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 -0.2825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9144 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4854 0.5425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1578 -2.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -1.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5868 -2.7562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3013 -3.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7583 0.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5788 0.4869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9144 -0.2668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8840 1.0156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2478 0.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2643 1.4693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8708 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6972 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2643 2.3273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 3.1687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 2.6903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4326 2.3616 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 17 2 0 0 0 0 16 4 2 0 0 0 0 4 1 1 0 0 0 0 1 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 2 1 0 0 0 0 7 9 1 0 0 0 0 9 10 2 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 9 1 0 0 0 0 5 15 2 0 0 0 0 17 16 1 0 0 0 0 4 18 1 0 0 0 0 18 19 1 0 0 0 0 3 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 17 1 0 0 0 0 21 23 2 0 0 0 0 20 24 2 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 S SKP 8 ID FL3FA9NF0004 KNApSAcK_ID C00013475 NAME Tephrorianin CAS_RN 204514-57-8 FORMULA C24H20O7 EXACTMASS 420.120902994 AVERAGEMASS 420.41139999999996 SMILES C(C(OC(C)=O)(C)C)=c(c(=O)1)c(c42)c(cc(c2C(=O)C=C(O4)c(c3)cccc3)OC)o1 M END