Ketcher 01031912192D 1 1.00000 0.00000 0 55 57 0 1 0 999 V2000 7.3193 -9.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1822 -10.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 -9.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0450 -8.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -8.9428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5938 -9.9426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 -10.4373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3193 -8.9428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4566 -8.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9416 -1.9552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0790 -3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2238 -3.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2239 -4.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0818 -5.4448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0796 -6.4399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 -6.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8044 -2.4601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6676 -1.9611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5318 -2.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3978 -1.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2646 -2.4753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0007 -2.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1328 -1.9750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9951 -3.4898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8433 -5.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8586 -3.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9674 -5.4948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0706 -6.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9522 -6.4954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2116 -6.4600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3349 -6.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4760 -6.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7342 -6.3752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5950 -6.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9321 -0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7956 -3.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5223 -3.4648 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3906 -0.9655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2590 -3.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1275 -0.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8593 -1.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1225 -3.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7176 -3.4901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7025 -5.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0618 -7.9785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4667 -5.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2104 -6.9333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3250 -7.9432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5882 -7.9381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4515 -11.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9049 -10.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 -1.0939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1699 -1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 -7.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29 30 1 0 0 0 9 5 1 1 0 0 6 7 1 0 0 0 32 31 1 1 0 0 33 32 1 0 0 0 7 1 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 33 35 1 0 0 0 35 34 1 1 0 0 17 34 1 0 0 0 11 36 1 1 0 0 1 8 1 0 0 0 18 37 1 1 0 0 9 8 1 6 0 0 18 19 1 0 0 0 20 19 1 0 0 0 20 38 2 0 0 0 10 12 1 0 0 0 21 39 1 1 0 0 22 40 1 1 0 0 20 21 1 0 0 0 24 41 1 1 0 0 22 21 1 0 0 0 23 42 2 0 0 0 1 2 1 1 0 0 25 43 1 6 0 0 10 11 1 0 0 0 27 44 1 6 0 0 18 11 1 0 0 0 26 45 1 1 0 0 22 24 1 0 0 0 29 46 2 0 0 0 25 23 1 0 0 0 23 24 1 0 0 0 33 47 1 1 0 0 2 3 1 0 0 0 3 4 1 6 0 0 5 6 1 0 0 0 16 48 1 1 0 0 25 27 1 0 0 0 28 26 1 0 0 0 32 49 1 0 0 0 26 27 1 0 0 0 49 9 1 0 0 0 12 13 2 0 0 0 9 50 1 0 0 0 50 35 1 0 0 0 13 14 1 0 0 0 7 51 1 1 0 0 14 15 2 0 0 0 28 30 2 0 0 0 3 52 1 0 0 0 31 29 1 0 0 0 19 53 1 1 0 0 54 19 1 0 0 0 48 55 1 0 0 0 M END > CHEBI:7753 > oligomycin D > An oligomycin with formula C44H72O11 that is oligomycin A in which the methyl substituent adjacent to the spirocyclic centre has been replaced by a hydrogen. > 3 > rutamycin A; antibiotic A 272; A-272; A 272; 26-demethyloligomycin A > (1S,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,29-octamethyl-3',4',5',6'-tetrahydro-3H,9H,13H-spiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-pyran]-3,9,13-trione > rutamycinum; rutamycine; rutamycin; rutamicina > C44H72O11 > 777.038 > 776.50746 > 0 > [C@@H]1([C@H](CC[C@]2(O1)C[C@@H]3OC(C=C[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C([C@@]([C@@H](O)[C@H](C)CC=CC=C[C@@H](CC[C@@H]([C@H]3C)O2)CC)(O)C)=O)=O)C)C[C@H](O)C > InChI=1S/C44H72O11/c1-11-33-16-14-12-13-15-27(4)41(50)43(10,52)42(51)32(9)40(49)31(8)39(48)30(7)38(47)26(3)17-20-37(46)53-36-24-44(54-34(19-18-33)29(36)6)22-21-25(2)35(55-44)23-28(5)45/h12-14,16-17,20,25-36,38,40-41,45,47,49-50,52H,11,15,18-19,21-24H2,1-10H3/b13-12+,16-14+,20-17+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41-,43+,44-/m0/s1 > LVWVMRBMGDJZLM-BONFEJLISA-N > 1404-59-7 > 1404-59-7 > C11314 > D05778 > CPD-21959 > 29741854 $$$$