Mol:FLIAELNS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 29 0 0 0 0 0 0 0 0999 V2000 -1.8834 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7708 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 0.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 0.5657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 1.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 1.5292 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8979 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8979 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 -0.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 -0.4422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0875 0.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4927 0.5880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4395 1.5291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 -0.4009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6355 -1.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3185 -1.5292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5979 -0.9018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 -0.3977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7898 1.1720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5043 0.7595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5979 0.6571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 0.2446 0.0000 C 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 1 17 1 0 0 0 0 7 18 2 0 0 0 0 13 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 14 1 0 0 0 0 3 22 1 0 0 0 0 16 23 1 0 0 0 0 23 24 1 0 0 0 0 2 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 23 24 M SBL 1 1 26 M SMT 1 OCH3 M SBV 1 26 -4.7378 5.7727 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 25 26 M SBL 2 1 28 M SMT 2 ^OCH3 M SBV 2 28 -5.7494 5.2801 S SKP 8 ID FLIAELNS0002 KNApSAcK_ID C00009864 NAME Dalpalatin CAS_RN 126595-77-5 FORMULA C18H14O8 EXACTMASS 358.068867424 AVERAGEMASS 358.29896 SMILES c(c4OC)(O)cc(c(c4O)3)OC=C(C3=O)c(c2)c(OC)cc(c21)OCO1 M END