Mol:FL3FA9NI0003
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.6797 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6797 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5671 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 -0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -1.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5455 -0.5160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -0.1948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0108 -1.9804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 -0.5223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 -0.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2356 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6686 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1016 0.4597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 0.4473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 1.4105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2356 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1234 1.7315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6795 2.0526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0369 0.1027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5369 0.9687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5598 -1.6401 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8453 -2.0526 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 6 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 1 24 1 0 0 0 0 24 25 1 0 0 0 0 3 26 1 0 0 0 0 26 27 1 0 0 0 0 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 26 27 M SBL 2 1 28 M SMT 2 OCH3 M SVB 2 28 -1.5598 -1.6401 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 24 25 M SBL 1 1 26 M SMT 1 OCH3 M SVB 1 26 -2.0369 0.1027 S SKP 8 ID FL3FA9NI0003 KNApSAcK_ID C00004014 NAME trans-Tephrostachin CAS_RN 80377-43-1 FORMULA C22H22O5 EXACTMASS 366.146723814 AVERAGEMASS 366.40708000000006 SMILES c(c(OC)1)c(OC)c(C(=O)2)c(OC(c(c3)cccc3)=C2)c1C=CC(C)(C)O M END