Mol:FL1C28NP0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 33 0 0 0 0 0 0 0 0999 V2000 3.0866 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0866 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -0.6537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 -0.3325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1992 0.3098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 0.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 -0.3119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 -0.6331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -0.6330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3973 -1.2737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8364 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 0.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 0.3388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2689 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 -1.2564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 -0.6184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 -0.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3740 0.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6429 -1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9253 0.6569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8214 0.6578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0022 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 0.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1025 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.3049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1992 -0.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6515 0.9374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2837 1.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 0.6309 0.0000 O 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 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 2 8 1 0 0 0 0 10 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 10 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 20 19 1 0 0 0 0 3 21 1 0 0 0 0 20 22 1 0 0 0 0 14 23 1 0 0 0 0 20 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 20 24 1 0 0 0 0 13 30 1 0 0 0 0 1 31 1 0 0 0 0 S SKP 8 ID FL1C28NP0003 KNApSAcK_ID C00007153 NAME Flemingin B CAS_RN 18361-42-7 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(CC(C=3)(Oc(c1C3)c(cc(C(=O)C=Cc(c2O)c(ccc2)O)c(O)1)O)C)C=C(C)C M END