Mol:FL2FA9NI0019
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 26 28 0 0 0 0 0 0 0 0999 V2000 -1.5761 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5344 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -0.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 -0.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -1.4178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -1.1171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5074 -0.5156 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.0135 -0.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -1.9417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 -0.5237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0965 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5621 0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0278 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 -2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0552 0.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 0.7285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0965 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0558 1.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5761 2.0187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9334 0.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4335 0.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 3 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 4 1 0 0 0 0 9 11 1 0 0 0 0 7 12 2 0 0 0 0 11 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 11 1 0 0 0 0 2 18 1 0 0 0 0 5 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 6 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 25 26 M SBL 1 1 27 M SMT 1 OCH3 M SVB 1 27 -1.9334 0.1031 S SKP 8 ID FL2FA9NI0019 KNApSAcK_ID C00008527 NAME Tephroleocarpin A CAS_RN 138590-93-9 FORMULA C21H22O5 EXACTMASS 354.146723814 AVERAGEMASS 354.39638 SMILES COc(c3)c(c(c(c(O)3)2)OC(CC(=O)2)c(c1)cccc1)C=CC(C)(C)O M END