Mol:FL2F1ANI0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 -1.9629 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -0.5574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.8421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -1.5210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.8786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 -0.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 -0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 0.4245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 0.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 -0.5574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 0.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 1.0790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 1.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9522 2.0594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3866 2.3859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 2.3859 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 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 7 17 2 0 0 0 0 18 1 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 S SKP 8 ID FL2F1ANI0004 KNApSAcK_ID C00008201 NAME Abyssinone II CAS_RN 77263-08-2 FORMULA C20H20O4 EXACTMASS 324.136159128 AVERAGEMASS 324.37039999999996 SMILES c(O)(c3)ccc(c32)C(=O)CC(O2)c(c1)cc(c(O)c1)CC=C(C)C M END