Mol:FL3FALNR0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 33 36 0 0 0 0 0 0 0 0999 V2000 -2.1383 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1383 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0257 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 -0.7991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 -0.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0869 0.1644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4694 -1.3000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 0.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7770 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 1.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 1.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 -1.4412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6946 0.4856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 -0.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6430 -0.7990 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.6323 -1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1830 -1.7713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1723 -2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7432 -1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 1.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1381 2.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6942 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5820 2.4120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2100 2.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 0.8687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6946 0.8687 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 3 18 1 0 0 0 0 1 19 1 0 0 0 0 13 20 1 0 0 0 0 8 21 1 0 0 0 0 21 20 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 6 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 2 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 16 31 1 0 0 0 0 15 32 1 0 0 0 0 32 33 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 32 33 M SBL 1 1 35 M SMT 1 OCH3 M SVB 1 35 2.6946 0.8687 S SKP 8 ID FL3FALNR0005 KNApSAcK_ID C00004100 NAME Cycloaltilisin;(+)-2,8,10-Trihydroxy-3-methoxy-11-(3-methyl-2-butenyl)-6-(2-methyl-1-propenyl)-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran-7-one CAS_RN 152130-62-6 FORMULA C26H26O7 EXACTMASS 450.167853186 AVERAGEMASS 450.48043999999993 SMILES C(C(C=C(C)C)4)(=C(c(c(O4)3)cc(c(OC)c3)O)2)C(c(c1O2)c(cc(O)c1CC=C(C)C)O)=O M END