Mol:FL4DRNNP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 37 41 0 0 0 0 0 0 0 0999 V2000 -2.0556 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0139 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0556 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -1.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -0.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 0.0255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4930 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5483 -1.1772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 -1.7783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 0.0252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9534 -0.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 -0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5516 -0.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7963 0.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4427 0.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8446 0.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3938 0.0991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 -1.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9048 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 -0.9993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6709 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1811 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4159 -1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 0.4446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 0.8041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5949 1.5233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0279 1.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5348 0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0556 0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 0.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 1.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1811 0.4648 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 3 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 4 1 0 0 0 0 7 11 2 0 0 0 0 8 12 1 0 0 0 0 2 13 1 0 0 0 0 6 14 1 0 0 0 0 12 15 1 0 0 0 0 15 16 2 0 0 0 0 16 9 1 0 0 0 0 15 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 16 1 0 0 0 0 18 21 1 0 0 0 0 8 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 9 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 5 33 1 0 0 0 0 33 34 2 0 0 0 0 34 35 1 0 0 0 0 35 14 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 S SKP 8 ID FL4DRNNP0003 KNApSAcK_ID C00008631 NAME Sorocein E CAS_RN 163633-91-8 FORMULA C30H32O7 EXACTMASS 504.214803378 AVERAGEMASS 504.57088 SMILES c(c45)(ccc(O)c(CC=C(C)C)5)C(O3)(C(O)(O4)C(=O)c(c32)c(O)cc(c12)OC(C)(C)C=C1)CC=C(C)C M END