Mol:FL3F1LNS0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 24 27 0 0 0 0 0 0 0 0999 V2000 -0.9926 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9926 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4215 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -1.0312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 -0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 0.6188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5798 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 1.8563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1508 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2781 -1.8563 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 0.6188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 0.3638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8493 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3644 1.6987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 0.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8653 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5786 -1.0292 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 1 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 2 1 0 0 0 0 9 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 7 17 2 0 0 0 0 4 18 1 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 18 22 1 0 0 0 0 12 23 1 0 0 0 0 23 24 1 0 0 0 0 S SKP 8 ID FL3F1LNS0003 KNApSAcK_ID C00013399 NAME Millettocalyxin A;7-Methoxy-2-(6-methoxy-1,3-benzodioxol-5-yl)-4H-1-benzopyran-4-one CAS_RN 422308-55-2 FORMULA C18H14O6 EXACTMASS 326.07903818 AVERAGEMASS 326.30016 SMILES O(c12)C(c(c4OC)ccc(c43)OCO3)=CC(c1ccc(OC)c2)=O M END