Mol:FL1DA9NR0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 36 40 0 0 0 0 0 0 0 0999 V2000 2.2247 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2247 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 -1.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 -0.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3373 -0.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7810 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6478 -1.0632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5354 -1.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5354 -1.7039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0255 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5782 0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1308 -0.0914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1308 -0.7295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5782 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5782 -1.6866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5782 0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1308 1.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 0.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1371 1.5503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5596 1.2409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1435 1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5954 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 0.2509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1420 1.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 0.8697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2782 1.7039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2992 1.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1280 0.5484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6833 -1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2347 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -1.0485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3373 -0.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7860 -1.6851 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 16 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 18 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 12 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 24 29 1 1 0 0 0 20 30 1 1 0 0 0 18 31 1 6 0 0 0 15 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 FL1DA9NR0002 KNApSAcK_ID C00007158 NAME 3'-Prenylrubranine CAS_RN 116133-67-6 FORMULA C30H34O4 EXACTMASS 458.24570957599997 AVERAGEMASS 458.58856000000003 SMILES C(c(c5)cccc5)=CC(=O)c(c42)c(O)c(c(c41)OC(C3)(C)CC1(C([H])(C3)C(O2)(C)C)[H])CC=C(C)C M END