Mol:FL2FAANF0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 36 0 0 0 0 0 0 0 0999 V2000 -1.5171 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4753 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9962 0.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5171 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 -0.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 -0.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5664 0.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 0.5943 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 -1.1326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6212 0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 0.5940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1555 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6212 1.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 1.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6800 1.5138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 -1.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 -1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1213 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7194 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9641 0.6960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0199 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5336 1.7658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3582 2.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0199 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6800 -1.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6899 -2.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3218 -2.3031 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 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 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 11 1 0 0 0 0 15 18 1 0 0 0 0 1 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 2 1 0 0 0 0 5 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 6 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 20 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 S SKP 8 ID FL2FAANF0003 KNApSAcK_ID C00008427 NAME Lonchocarpol E CAS_RN 111567-20-5 FORMULA C25H28O7 EXACTMASS 440.18350325 AVERAGEMASS 440.48562000000004 SMILES O(C5C(C)(C)O)c(c43)c(C5)c(c(c3OC(C4)C(C)(C)O)2)OC(CC2=O)c(c1)ccc(c1)O M END