Marvin 03121314152D 35 37 0 0 1 0 999 V2000 6.2202 -3.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2202 -4.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5057 -3.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5057 -4.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 -3.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7912 -4.2643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 -3.0268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6492 -3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9347 -4.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6492 -4.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3637 -3.0270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0780 -3.4396 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3635 -4.6769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0780 -4.2645 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7866 -3.0329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7863 -2.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7922 -4.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0718 -1.7959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5003 -1.7953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4999 -0.9704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7855 -0.5584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0743 -3.0268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5057 -5.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9371 -5.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3586 -5.5019 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0742 -2.6192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2079 -0.5507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9348 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2203 -1.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2204 -0.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9349 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5059 -0.5517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7899 -5.5019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5033 -5.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0743 -5.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 2 2 0 0 0 0 5 3 1 0 0 0 0 6 4 1 0 0 0 0 6 5 2 0 0 0 0 7 1 1 0 0 0 0 2 1 1 0 0 0 0 8 7 2 0 0 0 0 9 2 1 0 0 0 0 10 9 2 0 0 0 0 11 8 1 0 0 0 0 10 8 1 0 0 0 0 12 11 1 0 0 0 0 13 10 1 0 0 0 0 14 13 1 0 0 0 0 15 12 1 0 0 0 0 14 12 1 0 0 0 0 16 15 1 0 0 0 0 14 17 1 6 0 0 0 19 16 1 0 0 0 0 18 16 2 0 0 0 0 20 19 2 0 0 0 0 21 20 1 0 0 0 0 5 22 1 0 0 0 0 4 23 1 0 0 0 0 9 24 1 0 0 0 0 13 25 2 0 0 0 0 12 26 1 6 0 0 0 20 27 1 0 0 0 0 7 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 30 32 1 0 0 0 0 17 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 M END > CHEBI:72750 > neosartoricin > A carbotricyclic compound obtained from the pathogenic fungi Aspergillus fumigatus and Neosartorya fischeri following activation of their polycyclic polyketide prenyltransferase (pcPTase)-containing silent clusters. It exhibits T-cell antiproliferative activity with an IC50 of 3 μM, suggesting a possible physiological role as an immunosuppressive agent. > 3 > (2S,3R)-3-(2,4-dioxopentyl)-3,6,8,9-tetrahydroxy-10-(3-methylbut-2-en-1-yl)-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl acetate; (2S,3R)-3,6,8,9-tetrahydroxy-3-[(2Z)-2-hydroxy-4-oxopent-2-en-1-yl]-10-(3-methylbut-2-en-1-yl)-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl acetate > (2S,3R)-3,6,8,9-tetrahydroxy-3-[(3Z)-4-hydroxy-2-oxopent-3-en-1-yl]-10-(3-methylbut-2-en-1-yl)-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl acetate > C26H28O9 > 484.49510 > 484.17333 > 0 > CC(=O)O[C@@H]1C(=O)c2c(O)c3c(O)cc(O)cc3c(CC=C(C)C)c2C[C@@]1(O)CC(=O)\C=C(\C)O > InChI=1S/C26H28O9/c1-12(2)5-6-17-18-8-15(29)9-20(31)21(18)23(32)22-19(17)11-26(34,10-16(30)7-13(3)27)25(24(22)33)35-14(4)28/h5,7-9,25,27,29,31-32,34H,6,10-11H2,1-4H3/b13-7-/t25-,26+/m1/s1 > YDWVJROLLAILGE-VAAQKJRKSA-N > 23368997 $$$$