Mol:FLIAAANP0017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4142 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3016 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 0.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 -0.5177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 -0.1965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8110 0.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3671 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 -1.5478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5567 -1.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5567 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9619 -0.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2547 -1.1631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 -1.1598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -0.5176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9703 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5252 -1.4787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5252 -2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0801 -1.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8579 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4142 1.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 1.4094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 0.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 2.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5171 1.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1462 -1.5448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1462 -1.8373 0.0000 O 0 0 0 0 0 0 0 0 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 4 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 5 1 0 0 0 0 8 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 11 2 0 0 0 0 1 2 1 0 0 0 0 7 17 2 0 0 0 0 3 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 6 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 1 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 30 14 1 0 0 0 0 21 31 1 0 0 0 0 S SKP 8 ID FLIAAANP0017 KNApSAcK_ID C00009949 NAME Euchrenone b7 CAS_RN 130170-03-5 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES C(O4)(C)(C)C=Cc(c34)c(c1c(O)c3CCC(C)(C)O)OC=C(c(c2)ccc(c2)O)C1=O M END