Mol:FLIB1LNI0003
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.7248 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7248 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6122 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6122 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5004 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0565 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2461 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0559 -1.7359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8356 -2.1176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2809 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7246 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1685 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2807 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6513 -0.0609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8356 1.8002 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 1 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 18 14 1 0 0 0 0 1 19 1 0 0 0 0 6 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 S SKP 8 ID FLIB1LNI0003 KNApSAcK_ID C00009965 NAME 5-Deoxykievitol CAS_RN 104380-54-3 FORMULA C20H20O6 EXACTMASS 356.125988372 AVERAGEMASS 356.3692 SMILES c(c1)c(c(CC=C(CO)C)c(O2)c(C(C(c(c3)c(O)cc(O)c3)C2)=O)1)O M END
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