Mol:FL6F1CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 32 0 0 0 0 0 0 0 0999 V2000 -2.5417 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5417 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -1.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0413 -0.5955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0773 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -0.8844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0404 -0.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 -0.8926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 0.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5399 -0.2038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0418 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 0.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 0.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5530 0.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0650 1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0154 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0418 -0.5957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5286 -1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4746 0.8878 0.0000 O 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 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 9 17 1 1 0 0 0 1 18 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 13 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 15 30 1 0 0 0 0 S SKP 8 ID FL6F1CNI0001 KNApSAcK_ID C00000975 NAME Kazinol A CAS_RN 99624-28-9 FORMULA C25H30O4 EXACTMASS 394.21440944799997 AVERAGEMASS 394.50329999999997 SMILES C(C2)c(c1OC2(c(c(CC=C(C)C)3)cc(c(O)c3O)CC=C(C)C)[H])ccc(c1)O M END