Ketcher 10071915472D 1 1.00000 0.00000 0 40 41 0 1 0 999 V2000 6.8743 -4.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7402 -3.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7402 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8743 -2.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0082 -2.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0082 -3.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0572 -4.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0572 -2.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4695 -3.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0082 -1.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8743 -5.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7481 -1.4880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7699 -1.2801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4610 -0.3291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4828 -0.1212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1737 0.8299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1956 1.0378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -3.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9695 -4.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -4.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4695 -4.9800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4695 -4.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4695 -4.9800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9695 -5.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7482 -5.0081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6063 -2.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6063 -4.2480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 -3.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3384 -4.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4724 -2.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 -3.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3384 -5.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 -5.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0704 -5.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0704 -4.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2044 -2.7480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9365 -3.7480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8024 -4.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8024 -5.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6685 -3.7480 0.0000 H 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 1 0 0 0 4 5 1 0 0 0 1 6 1 0 0 0 7 6 1 0 0 0 5 8 1 0 0 0 8 9 1 0 0 0 7 9 1 0 0 0 5 10 2 0 0 0 1 11 2 0 0 0 8 12 1 1 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 9 18 1 6 0 0 18 19 1 0 0 0 19 20 1 0 0 0 19 21 2 0 0 0 20 22 1 0 0 0 22 23 1 0 0 0 22 24 1 0 0 0 7 25 1 1 0 0 3 26 1 6 0 0 2 27 1 6 0 0 27 28 1 0 0 0 28 29 1 0 0 0 28 30 2 0 0 0 31 29 2 0 0 0 29 32 1 0 0 0 32 33 2 0 0 0 33 34 1 0 0 0 34 35 2 0 0 0 31 35 1 0 0 0 31 36 1 0 0 0 35 37 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 M END > CHEBI:2762 > antimycin A > A nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison. > 3 > CHEBI:40908; CHEBI:22584 > Virosin; Fintrol; Antipiricullin; antimycin A1b; Antimycin A1 > (2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl 3-methylbutanoate > C28H40N2O9 > 548.633 > 548.27338 > 0 > C1([C@H]([C@H](OC([C@@H]([C@H]([C@@H](O1)C)OC(CC(C)C)=O)CCCCCC)=O)C)NC(C2=C(C(=CC=C2)NC(=O)[H])O)=O)=O > InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1 > UIFFUZWRFRDZJC-SBOOETFBSA-N > 72665 > 642-15-9 > 642-15-9 > C11339 > CPD-5744 > AY1 > 16819166; 29790043; 30914247; 31079230; 32662599 $$$$