Mol:FL1C1ANI0013
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 35 0 0 0 0 0 0 0 0999 V2000 1.1774 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1774 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2900 -0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 -0.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0796 -0.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4767 -1.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6357 -1.9259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1966 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 0.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 -0.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 -0.9515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -1.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8463 -0.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7493 -1.9087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 0.0056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8544 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4058 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 -1.2705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5084 -0.9522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9571 -1.9071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 0.6416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 0.9627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7337 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8459 1.9259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8461 -1.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5084 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 -1.9238 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 17 5 1 0 0 0 0 18 16 1 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 S SKP 8 ID FL1C1ANI0013 KNApSAcK_ID C00007074 NAME Sophoradin CAS_RN 23057-54-7 FORMULA C30H36O4 EXACTMASS 460.26135963999997 AVERAGEMASS 460.60444 SMILES c(c(O)1)(C(C=Cc(c2)cc(CC=C(C)C)c(c(CC=C(C)C)2)O)=O)ccc(c1CC=C(C)C)O M END