Mol:FL3FAGNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.9629 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9629 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8503 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 0.6257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 -0.3378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2623 0.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2940 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 0.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 0.6256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9524 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 1.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 1.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4066 -1.3011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4931 1.4582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 0.6257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3854 2.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5192 0.2984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -0.6589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8184 -1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 -1.6214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3733 -2.2621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9282 -1.3010 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 9 12 1 0 0 0 0 12 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 12 1 0 0 0 0 3 18 1 0 0 0 0 19 15 1 0 0 0 0 1 20 1 0 0 0 0 16 21 1 0 0 0 0 14 22 1 0 0 0 0 8 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 S SKP 8 ID FL3FAGNI0001 KNApSAcK_ID C00004039 NAME Asplenetin CAS_RN 97180-29-5 FORMULA C20H20O7 EXACTMASS 372.120902994 AVERAGEMASS 372.3686 SMILES O(c21)C(c(c3)cc(O)c(O)c(O)3)=C(CCC(C)C)C(=O)c1c(cc(O)c2)O M END