Mol:FLIAAANP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.0117 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0117 -0.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -0.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9901 -0.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9901 0.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4897 -1.0008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4902 -1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9544 -1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 -1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4185 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9544 -0.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8817 -1.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 -1.2072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5112 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0117 1.3928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 1.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5121 0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2418 0.9084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0829 1.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0144 -0.3393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 -0.6060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 -1.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8817 -0.3720 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 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 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 17 1 0 0 0 0 17 12 2 0 0 0 0 15 18 1 0 0 0 0 3 19 1 0 0 0 0 2 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 1 1 0 0 0 0 23 25 1 1 0 0 0 23 26 1 6 0 0 0 20 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FLIAAANP0001 KNApSAcK_ID C00002555 NAME Osajin CAS_RN 482-53-1 FORMULA C25H24O5 EXACTMASS 404.162373878 AVERAGEMASS 404.45506 SMILES O(c14)C(C)(C)C=Cc(c(c(c(c(CC=C(C)C)4)O)2)OC=C(c(c3)ccc(c3)O)C2=O)1 M END