Mol:FL3F9CNS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 25 28 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 3.3644 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 -1.7071 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4204 1.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7071 -1.8549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1360 -1.0313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 -0.6194 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 13 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 14 1 0 0 0 0 3 21 1 0 0 0 0 21 22 1 0 0 0 0 6 23 1 0 0 0 0 5 24 1 0 0 0 0 24 25 1 0 0 0 0 S SKP 8 ID FL3F9CNS0001 KNApSAcK_ID C00013401 NAME 2-(1,3-Benzodioxol-5-yl)-5-hydroxy-6,8-dimethoxy-4H-1-benzopyran-4-one CAS_RN 220841-90-7 FORMULA C18H14O7 EXACTMASS 342.073952802 AVERAGEMASS 342.29956000000004 SMILES c(c41)(OCO4)ccc(C(O2)=CC(c(c3O)c2c(OC)cc3OC)=O)c1 M END