Mol:FL3FEGNI0001
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 33 35 0 0 0 0 0 0 0 0999 V2000 -2.1557 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5846 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7268 -0.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4167 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4412 -2.2688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2991 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8702 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7022 2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8523 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0123 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1311 -0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8456 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 -1.4431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0100 -1.0319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0136 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5727 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2932 1.0274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0136 1.4433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2932 0.1955 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 18 14 1 0 0 0 0 4 19 1 0 0 0 0 6 20 1 0 0 0 0 15 21 1 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 1 0 0 0 0 5 26 1 0 0 0 0 20 27 1 0 0 0 0 26 28 1 0 0 0 0 19 29 1 0 0 0 0 22 30 1 0 0 0 0 30 31 2 0 0 0 0 31 32 1 0 0 0 0 31 33 1 0 0 0 0 S SKP 8 ID FL3FEGNI0001 KNApSAcK_ID C00013424 NAME 2-[3,5-Dimethoxy-4-[(3-methyl-2-butenyl)oxy]phenyl]-5,6,7-trimethoxy-4H-1-benzopyran-4-one CAS_RN 194735-90-5 FORMULA C25H28O8 EXACTMASS 456.17841787199995 AVERAGEMASS 456.48502 SMILES c(c21)c(OC)c(c(OC)c1C(C=C(c(c3)cc(c(OCC=C(C)C)c(OC)3)OC)O2)=O)OC M END
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