Mol:FL1CRTNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 26 0 0 0 0 0 0 0 0999 V2000 1.7343 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7343 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4773 -0.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0336 -0.3473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 -0.3472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0788 -0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6397 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7450 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1924 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9373 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 0.9436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 0.6246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8503 -0.0136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2977 -0.3326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2151 0.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4030 0.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2906 -0.9894 0.0000 O 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 5 17 1 0 0 0 0 14 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 15 1 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 3 24 1 0 0 0 0 S SKP 8 ID FL1CRTNP0002 KNApSAcK_ID C00007058 NAME Munsericin CAS_RN 158991-21-0 FORMULA C20H18O4 EXACTMASS 322.120509064 AVERAGEMASS 322.35452 SMILES c(c1)c(C(=O)C=Cc(c(O)3)ccc(O)c3)cc(C=2)c1OC(C2)(C)C M END