Ketcher 07032014372D 1 1.00000 0.00000 0 23 25 0 1 0 999 V2000 15.8100 -24.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0332 -24.7853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0405 -25.7849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8268 -26.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7997 -26.1726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2267 -25.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7862 -24.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0824 -24.4765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4947 -25.2851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0823 -26.0938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7724 -27.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2264 -25.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0332 -23.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7735 -23.5255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5801 -23.1829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7938 -27.2511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3079 -22.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2653 -22.7850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0781 -21.5246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0607 -22.1794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.5955 -23.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8824 -22.7487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5950 -23.7061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 6 7 1 0 0 0 7 1 1 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 8 2 1 0 0 0 10 3 1 0 0 0 10 11 1 0 0 0 6 12 1 0 0 0 2 13 1 6 0 0 8 14 2 0 0 0 1 15 1 1 0 0 11 16 1 0 0 0 15 17 1 0 0 0 18 17 1 1 0 0 17 19 2 0 0 0 18 20 1 0 0 0 18 21 1 0 0 0 20 22 1 0 0 0 21 23 1 0 0 0 22 23 1 0 0 0 M END > CHEBI:156057 > aculene A > A carboxylic ester resulting from the formal condensation of the hydroxy group of aculene C with the carboxylic acid group of L-proline. It is a sesquiterpenoid isolated from the fungus Aspergillus aculeatus. > 3 > (3aR,4S)-1-ethyl-3a,6-dimethyl-3-oxo-3,3a,4,5-tetrahydroazulen-4-yl (2S)-pyrrolidine-2-carboxylate > (3aR,4S)-1-ethyl-3a,6-dimethyl-3-oxo-3,3a,4,5-tetrahydroazulen-4-yl L-prolinate > C19H25NO3 > 315.413 > 315.18344 > 0 > [C@H]1([C@]2(C(=CC=C(C1)C)C(=CC2=O)CC)C)OC([C@H]3NCCC3)=O > InChI=1S/C19H25NO3/c1-4-13-11-16(21)19(3)14(13)8-7-12(2)10-17(19)23-18(22)15-6-5-9-20-15/h7-8,11,15,17,20H,4-6,9-10H2,1-3H3/t15-,17-,19-/m0/s1 > LOOAMPJDSIVZQC-IEZWGBDMSA-N > 25068785; 25547729; 31618514 $$$$