Mol:FL6DPTNS0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 22 25 0 0 0 0 0 0 0 0999 V2000 -0.8344 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8344 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2783 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 -0.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 0.1427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9470 -0.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3907 -0.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5033 0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9472 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3909 1.4275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8346 1.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 1.4273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2780 -1.4275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5033 0.1429 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 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 1 1 0 0 0 0 4 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 5 10 1 6 0 0 0 11 1 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 2 1 0 0 0 0 12 15 1 0 0 0 0 9 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 10 1 0 0 0 0 17 20 1 0 0 0 0 3 21 1 6 0 0 0 16 22 1 0 0 0 0 S SKP 8 ID FL6DPTNS0005 KNApSAcK_ID C00009044 NAME Epimopanan-4alpha-ol CAS_RN 127644-67-1 FORMULA C16H14O6 EXACTMASS 302.07903818 AVERAGEMASS 302.27876000000003 SMILES Oc(c4)cc(O1)c(c4)C(O)C(O3)C1c(c2)c(C3)c(O)c(O)c2 M END