Mol:FLIA2LNP0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 30 34 0 0 0 0 0 0 0 0999 V2000 -1.9215 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8088 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8088 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 0.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 -0.7184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3038 -0.3972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3038 0.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8599 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8599 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 -1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -1.4051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0494 -0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4546 -0.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2525 -1.3605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4778 0.5663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3651 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 1.5299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4778 1.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1063 1.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0175 1.7485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -1.6173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1063 -1.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7026 -0.5060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1454 -1.3356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8599 -1.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6359 -0.3058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9215 -0.7183 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 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 18 1 1 0 0 0 0 6 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 18 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 14 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 15 1 0 0 0 0 12 27 1 0 0 0 0 27 28 1 0 0 0 0 2 29 1 0 0 0 0 29 30 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 27 28 M SBL 1 1 31 M SMT 1 ^OCH3 M SBV 1 31 -6.5505 2.7277 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 29 30 M SBL 2 1 33 M SMT 2 ^OCH3 M SBV 2 33 -6.5505 2.7497 S SKP 8 ID FLIA2LNP0001 KNApSAcK_ID C00009446 NAME Ichthynone CAS_RN 24340-62-3 FORMULA C23H20O7 EXACTMASS 408.120902994 AVERAGEMASS 408.40070000000003 SMILES c(O5)(c(OC5)4)cc(c(OC)c4)C(=C3)C(c(c2O3)cc(OC)c(c21)OC(C=C1)(C)C)=O M END