Mol:FL3F2CNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 28 31 0 0 0 0 0 0 0 0999 V2000 0.4008 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4008 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0282 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3137 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 -1.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8297 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9731 0.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9731 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2587 1.4096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5442 0.9971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1152 -2.3029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7426 0.1721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7414 -1.4772 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 -1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4571 -0.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 1.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2507 2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4302 2.2166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1656 -1.4772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 -1.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5862 -1.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 -0.2472 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 5 19 1 0 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 14 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 15 1 0 0 0 0 20 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 S SKP 8 ID FL3F2CNI0001 KNApSAcK_ID C00013425 NAME Millettocalyxin B;2-(1,3-Benzodioxol-5-yl)-7-methoxy-6-[(3-methyl-2-butenyl)oxy]-4H-1-benzopyran-4-one CAS_RN 422308-56-3 FORMULA C22H20O6 EXACTMASS 380.125988372 AVERAGEMASS 380.3906 SMILES c(O4)(c3OC4)cc(cc3)C(O1)=CC(=O)c(c2)c1cc(c2OCC=C(C)C)OC M END