Mol:FLIAALNI0014
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.7265 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7265 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6139 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 0.1942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 -1.0905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -0.7693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4987 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 0.1942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0548 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0548 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 -2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 -1.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2443 -1.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 -0.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0576 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2826 0.1941 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8385 -2.1203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 -1.7326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 0.8363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7263 1.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2824 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 2.1206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8385 1.7995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6495 -0.0609 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 1 18 1 0 0 0 0 14 19 1 0 0 0 0 3 20 1 0 0 0 0 6 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 16 27 1 0 0 0 0 S SKP 8 ID FLIAALNI0014 KNApSAcK_ID C00009903 NAME 2,3-Dehydrokievitol CAS_RN 104363-17-9 FORMULA C20H18O7 EXACTMASS 370.10525293 AVERAGEMASS 370.35272 SMILES c(c3O)(C1=O)c(c(CC=C(CO)C)c(O)c3)OC=C(c(c2)c(O)cc(O)c2)1 M END