Ketcher 08182010102D 1 1.00000 0.00000 0 35 38 0 1 0 999 V2000 11.0874 -6.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 -7.3805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0970 -5.9726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2829 -5.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3708 -6.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 -5.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4543 -6.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7291 -4.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6356 -7.3710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4593 -5.9535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6309 -8.3143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8885 -8.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7484 -7.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9642 -8.6926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2637 -8.3240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5621 -7.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8981 -6.7724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4449 -8.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1465 -6.8489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7434 -3.7841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6247 -7.2225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5802 -7.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9689 -6.9830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2589 -6.4324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6076 -4.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6259 -6.4228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7484 -8.5298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3952 -9.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -9.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5624 -9.0039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4449 -7.8403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6212 -9.2865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9225 -5.5083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9835 -4.1332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8983 -5.3253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 3 1 1 0 0 0 4 3 1 0 0 0 5 1 1 0 0 0 6 5 1 0 0 0 7 2 1 0 0 0 8 4 1 0 0 0 9 7 1 0 0 0 10 4 1 0 0 0 11 9 1 0 0 0 12 11 1 0 0 0 1 13 1 6 0 0 14 12 1 0 0 0 15 2 1 0 0 0 16 23 1 0 0 0 17 9 1 0 0 0 18 15 1 0 0 0 19 5 2 0 0 0 20 8 2 0 0 0 21 13 2 0 0 0 22 16 2 0 0 0 23 17 1 0 0 0 2 24 1 6 0 0 4 25 1 6 0 0 9 26 1 6 0 0 27 13 1 0 0 0 28 12 1 0 0 0 29 12 1 0 0 0 30 27 1 0 0 0 7 31 1 1 0 0 11 32 1 1 0 0 10 7 1 0 0 0 6 8 1 0 0 0 18 11 1 0 0 0 16 14 1 0 0 0 3 33 2 0 0 0 6 34 1 6 0 0 6 35 1 0 0 0 M END > CHEBI:69026 > preaustinoid A1 > A meroterpenoid found in Penicillium rubrum and Penicillium species. It has been found to exhibit inhibitory activity against the production of interleukin 1-β from induced inflammasomes. > 3 > preaustinoid A1 > methyl (5aS,7aS,8R,10S,12R,13aS,13bS)-10-hydroxy-5,5,7a,10,12,13b-hexamethyl-14-methylidene-3,9,11-trioxotetradecahydro-8,12-methanocycloocta[3,4]benzo[1,2-c]oxepine-8(5H)-carboxylate > C26H36O7 > 460.567 > 460.24610 > 0 > [H][C@@]12C[C@]3(C)C(=C)[C@@](C(=O)OC)(C(=O)[C@@](C)(O)C3=O)[C@@]1(C)CC[C@@]1([H])[C@@]2(C)CCC(=O)OC1(C)C > InChI=1S/C26H36O7/c1-14-23(5)13-16-22(4)11-10-17(27)33-21(2,3)15(22)9-12-24(16,6)26(14,20(30)32-8)19(29)25(7,31)18(23)28/h15-16,31H,1,9-13H2,2-8H3/t15-,16+,22-,23-,24+,25+,26+/m1/s1 > XBLDTXYFLHSWHN-RFMSQVAGSA-N > 21969350 > 8SX > 14577628; 19678538; 21916432; 26396816; 29317628 $$$$