Mol:FL5FECNS0021
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.7182 -0.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8297 -0.7936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3377 -1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7341 -0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 -0.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1146 0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2420 -1.3997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3616 -1.1800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4732 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0189 -0.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -1.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0766 -0.3278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5781 -0.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1934 -0.5247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3070 0.1201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8055 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1903 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8535 -1.5928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4492 -1.8388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2919 -0.0536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1846 1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7752 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4699 -0.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9394 -1.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9625 0.5104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3045 1.4501 0.0000 C 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 7 11 2 0 0 0 0 9 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 17 2 0 0 0 0 17 12 1 0 0 0 0 8 18 1 0 0 0 0 3 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 2 23 1 0 0 0 0 23 24 1 0 0 0 0 1 25 1 0 0 0 0 25 26 1 0 0 0 0 M STY 1 3 SUP M SLB 1 3 3 M SAL 3 2 25 26 M SBL 3 1 27 M SMT 3 OCH3 M SVB 3 27 -2.241 0.482 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 23 24 M SBL 2 1 25 M SMT 2 OCH3 M SVB 2 25 -2.5983 -0.6877 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 21 22 M SBL 1 1 23 M SMT 1 OCH3 M SVB 1 23 1.7479 1.7424 S SKP 8 ID FL5FECNS0021 KNApSAcK_ID C00004697 NAME Veronicafolin CAS_RN 578-71-2 FORMULA C18H16O8 EXACTMASS 360.08451748799996 AVERAGEMASS 360.31484 SMILES c(c1OC)c(O2)c(C(C(=C2c(c3)cc(OC)c(O)c3)O)=O)c(c1OC)O M END