Mol:FL2FACNI0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 38 0 0 0 0 0 0 0 0999 V2000 -1.9779 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9779 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8653 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2473 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3704 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9374 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3704 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3090 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3704 1.6366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5340 -1.2844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0901 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -1.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1999 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -1.9244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9777 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4216 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5042 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 -0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -0.3271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1999 -0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6354 -0.9789 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 15 20 1 0 0 0 0 14 21 1 0 0 0 0 2 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 6 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 13 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 S SKP 8 ID FL2FACNI0005 KNApSAcK_ID C00008323 NAME Amorisin CAS_RN 83474-70-8 FORMULA C30H36O6 EXACTMASS 492.251188884 AVERAGEMASS 492.60324 SMILES CC(C)=CCc(c31)c(O)c(c(O)c1C(CC(O3)c(c2)cc(CC=C(C)C)c(O)c(O)2)=O)CC=C(C)C M END