Mol:FL6FWXNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 27 0 0 0 0 0 0 0 0999 V2000 -1.6823 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6823 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5697 -0.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 -0.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 -1.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -0.9963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 -0.3540 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.0134 -0.0328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 -0.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2329 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 0.9491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0990 0.6218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1260 0.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 0.9304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 1.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2329 1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -1.4780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -1.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0396 0.2648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5396 1.1308 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 2 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 6 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 6 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 21 19 1 0 0 0 0 3 22 1 0 0 0 0 22 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 24 25 M SBL 2 1 26 M SMT 2 OCH3 M SVB 2 26 -2.0396 0.2648 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 22 23 M SBL 1 1 24 M SMT 1 OCH3 M SVB 1 24 -1.5625 -1.478 S SKP 8 ID FL6FWXNI0001 KNApSAcK_ID C00008792 NAME Tephrowatsin B CAS_RN 97640-80-7 FORMULA C22H24O3 EXACTMASS 336.172544634 AVERAGEMASS 336.42416000000003 SMILES C(C)(C)=CCc(c12)c(cc(OC)c(C=C[C@@H](c(c3)cccc3)O2)1)OC M END