Mol:FL1C1ANF0004
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.9142 -0.5180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2481 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 1.0203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 0.6357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5803 -0.1334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1492 -0.4619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5290 1.0509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8931 0.6837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2846 1.0351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3321 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9687 -0.4237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 -0.0561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 0.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9687 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9142 -1.2605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2425 -1.6483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 -1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5887 -0.5839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1333 -1.7264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2846 1.7264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 -0.2833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7367 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3046 0.9062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6239 1.0031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 0.3115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8099 -0.3316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 6 7 1 0 0 0 0 3 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 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 1 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 19 21 1 0 0 0 0 10 22 2 0 0 0 0 12 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 S SKP 8 ID FL1C1ANF0004 KNApSAcK_ID C00011142 NAME Bartericin B CAS_RN 681214-46-0 FORMULA C25H28O5 EXACTMASS 408.193674006 AVERAGEMASS 408.48682 SMILES c(c(C(C=Cc(c3)cc(c(O)c3)CC=C(C)C)=O)1)(cc(O2)c(CC(C(C)(C)O)2)c1)O M END