Mol:FL3FA9NI0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 27 29 0 0 0 0 0 0 0 0999 V2000 -1.4209 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4209 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3083 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 0.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -1.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 -0.6789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 -0.0365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 0.2846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2480 -1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 -0.0428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 0.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4944 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9274 1.2666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3604 0.9392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 0.9268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4207 1.2478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 1.5731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8101 1.4456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4944 0.9456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2869 0.4635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1529 0.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3010 -1.1606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5865 -1.5731 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 -1.301 -1.1606 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 -1.7781 0.5822 S SKP 8 ID FL3FA9NI0002 KNApSAcK_ID C00004013 NAME cis-Tephrostachin CAS_RN 50299-52-0 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