Mol:FLIE1ANI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 0 0 0 0 0 0 0 0999 V2000 -2.0044 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0044 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8918 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4481 2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 0.9008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2208 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3355 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.1292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 0.2142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 0.9010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 1.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 2.1854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3338 0.2144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 2.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5607 -0.1289 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3717 -0.8154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9659 -1.8432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3729 -2.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5589 -2.1856 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 2 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 8 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 2 0 0 0 0 7 18 1 0 0 0 0 19 1 1 0 0 0 0 12 18 1 0 0 0 0 14 20 1 0 0 0 0 13 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 S SKP 8 ID FLIE1ANI0003 KNApSAcK_ID C00010050 NAME Isosojagol CAS_RN 94390-15-5 FORMULA C20H16O5 EXACTMASS 336.099773622 AVERAGEMASS 336.33804000000003 SMILES c(O)(c4)ccc(c41)c(o3)c(c(c32)ccc(O)c(CC=C(C)C)2)C(=O)O1 M END