Mol:FL2FAANP0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 33 0 0 0 0 0 0 0 0999 V2000 -1.5628 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5210 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 -1.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5207 -0.7859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0411 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 -2.2120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 -0.7940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 -0.4854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 0.4401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0411 0.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 -0.4851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 0.1157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5623 0.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6442 0.4401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 1.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5755 1.0571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0837 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2431 0.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6442 0.1163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -2.2890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1098 1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5775 2.2890 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 3 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 17 2 0 0 0 0 17 11 1 0 0 0 0 6 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 15 21 1 0 0 0 0 22 23 1 0 0 0 0 23 16 1 0 0 0 0 20 24 1 0 0 0 0 24 18 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 2 27 1 0 0 0 0 22 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 S SKP 8 ID FL2FAANP0005 KNApSAcK_ID C00008461 NAME Euchrenone a2 CAS_RN 116310-62-4 FORMULA C25H26O5 EXACTMASS 406.178023942 AVERAGEMASS 406.47094 SMILES C(C=1)(Oc(c4)c(c(O2)c(c4O)C(CC(c(c3)cc(c(c3)O)CC=C(C)C)2)=O)C1)(C)C M END