Mol:FLIAAANP0015
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4425 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4425 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3299 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 0.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -1.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 0.0495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -2.2653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -1.9219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5284 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9336 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2264 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9986 0.0494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 -1.8773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -0.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1226 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1226 -2.2649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8862 0.6771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 1.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 1.6531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0134 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 2.2653 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 2 18 1 0 0 0 0 1 19 1 0 0 0 0 3 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 22 18 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 14 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 28 31 1 0 0 0 0 S SKP 8 ID FLIAAANP0015 KNApSAcK_ID C00009944 NAME Euchrenone b6 CAS_RN 130170-02-4 FORMULA C25H26O6 EXACTMASS 422.172938564 AVERAGEMASS 422.47033999999996 SMILES c(c3CCC(C)(C)O)(c(c(O)c(C=4)c(OC(C4)(C)C)3)1)OC=C(c(c2)ccc(c2)O)C1=O M END