Mol:FLIAALNP0008
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 31 34 0 0 0 0 0 0 0 0999 V2000 -1.4092 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4092 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -1.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8160 -0.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 -2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5617 -1.7763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5617 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 -0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2597 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 -1.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1559 -2.1193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9655 0.1951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9653 -1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8529 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 -0.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 -0.7684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 0.5575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1559 -0.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 1.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2968 1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2581 2.1197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7779 -2.1193 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 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 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 3 18 1 0 0 0 0 14 19 1 0 0 0 0 20 1 1 0 0 0 0 2 21 1 0 0 0 0 6 22 1 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 24 21 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 22 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 12 31 1 0 0 0 0 S SKP 8 ID FLIAALNP0008 KNApSAcK_ID C00009521 NAME Auriculatin CAS_RN 20387-73-9 FORMULA C25H24O6 EXACTMASS 420.1572885 AVERAGEMASS 420.45446 SMILES C(=C1)c(c4O)c(c(CC=C(C)C)c(c42)OC=C(c(c3)c(cc(O)c3)O)C2=O)OC1(C)C M END