Mol:FL2F1ANP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 29 32 0 0 0 0 0 0 0 0999 V2000 -2.8113 -0.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8113 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6987 -0.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2550 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -1.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 -1.1995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5861 -0.5572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -0.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 -0.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 -0.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 0.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 0.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0300 0.4186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -2.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3676 -0.2360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 0.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1039 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5370 1.4006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2377 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6709 2.0645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6708 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2364 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3676 -0.2368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8020 -1.2165 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 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 15 1 0 0 0 0 20 23 1 0 0 0 0 20 24 1 0 0 0 0 13 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 S SKP 8 ID FL2F1ANP0002 KNApSAcK_ID C00008203 NAME Abyssinone III CAS_RN 77263-09-3 FORMULA C25H26O4 EXACTMASS 390.18310931999997 AVERAGEMASS 390.47153999999995 SMILES CC(C)=CCc(c2)c(O1)c(cc2C(C4)Oc(c(C4=O)3)cc(O)cc3)C=CC1(C)C M END