Ketcher 10171912582D 1 1.00000 0.00000 0 27 29 0 1 0 999 V2000 14.4401 -4.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4401 -5.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5799 -3.9906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5799 -5.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7197 -4.4872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7197 -5.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3002 -3.9907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1602 -4.4873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3001 -5.9769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1602 -5.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0202 -3.9909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0204 -2.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8777 -2.4964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1603 -2.5011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1604 -1.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3001 -2.9975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4401 -2.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5066 -6.9483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4942 -7.0522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8983 -6.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9907 -7.9123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8697 -5.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8552 -5.3547 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8568 -5.9769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 -6.9701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4415 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 -2.9974 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 2 9 1 0 0 0 8 11 1 1 0 0 8 10 1 0 0 0 11 12 1 0 0 0 12 13 2 0 0 0 12 14 1 0 0 0 14 15 1 0 0 0 14 16 1 0 0 0 16 17 1 0 0 0 9 18 1 6 0 0 9 10 1 0 0 0 18 19 1 0 0 0 10 20 1 1 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 22 2 0 0 0 6 23 1 1 0 0 1 23 1 1 0 0 6 24 1 0 0 0 4 25 1 6 0 0 1 26 1 0 0 0 3 27 1 6 0 0 M END > CHEBI:145104 > viguilenin > An organic heterocricyclic compound and germacranolide with formula C20H30O7 isolated from Viguiera linearis. > 3 > (1S,2S,4R,8S,9R,11S,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0(4,8)]tetradecan-9-yl 2-methylbutanoate > C20H30O7 > 382.453 > 382.19915 > 0 > [C@]12([C@H](C[C@@]([C@H](C[C@H]3OC(C([C@@H]3[C@@H](C1)OC(=O)C(C)CC)=C)=O)C)(O2)O)O)C > InChI=1S/C20H30O7/c1-6-10(2)17(22)26-14-8-19(5)15(21)9-20(24,27-19)11(3)7-13-16(14)12(4)18(23)25-13/h10-11,13-16,21,24H,4,6-9H2,1-3,5H3/t10?,11-,13+,14+,15-,16-,19-,20-/m0/s1 > CSYYHGVTSAUQEW-TWMZRSPISA-N > 76627-97-9 > C00012155 $$$$