Mrv0541 07021416492D 40 41 0 0 1 0 999 V2000 11.4267 -23.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8410 -23.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4267 -23.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1338 -24.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5481 -24.2877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8410 -23.0698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1338 -22.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2553 -23.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 -27.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8706 -28.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9821 -27.5975 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4258 -27.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9821 -24.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1338 -27.5877 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6990 -28.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 -24.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1240 -26.7725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4267 -26.3600 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.6892 -25.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1338 -25.0932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9821 -25.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2553 -23.0698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1338 -21.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9821 -26.7725 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4267 -25.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 -22.6475 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4258 -26.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6892 -26.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 -25.1225 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1428 -28.0297 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8706 -26.3600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7097 -26.7823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5972 -26.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2553 -26.3502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6892 -23.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4071 -27.9905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9929 -25.5448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9633 -26.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2553 -25.5350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9894 -23.0602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3 1 2 0 0 0 0 4 1 1 0 0 0 0 16 1 1 0 0 0 0 2 4 1 0 0 0 0 5 2 1 0 0 0 0 6 2 2 0 0 0 0 7 3 1 0 0 0 0 26 3 1 0 0 0 0 20 4 2 0 0 0 0 8 5 1 0 0 0 0 7 6 1 0 0 0 0 23 7 2 0 0 0 0 13 8 1 0 0 0 0 22 8 2 0 0 0 0 9 10 2 0 0 0 0 11 9 1 0 0 0 0 33 9 1 0 0 0 0 10 14 1 0 0 0 0 11 15 1 1 0 0 0 11 24 1 0 0 0 0 12 15 1 0 0 0 0 27 12 2 0 0 0 0 30 12 1 0 0 0 0 21 13 2 0 0 0 0 35 13 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 6 0 0 0 29 16 1 0 0 0 0 17 18 1 0 0 0 0 17 31 1 6 0 0 0 18 25 1 0 0 0 0 18 32 1 1 0 0 0 19 21 1 0 0 0 0 28 19 2 0 0 0 0 24 28 1 0 0 0 0 24 34 1 1 0 0 0 25 29 1 0 0 0 0 29 37 1 6 0 0 0 38 32 1 0 0 0 0 39 34 1 0 0 0 0 26 40 1 0 0 0 0 M END > CHEBI:5292 > geldanamycin > An ansamycin consisting of a 19-membered macrocyle incorporating a benzoquinone ring and a lactam functionality. It shows antimicrobial activity against many Gram-positive and some Gram-negative bacteria. > 3 > CHEBI:42670 > Geldanamycin; GELDANAMYCIN > (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate > C29H40N2O9 > 560.63590 > 560.27338 > 0 > CO[C@H]1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)C2=O > InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1 > QTQAWLPCGQOSGP-KSRBKZBZSA-N > 30562-34-6 > 14205884 > 30562-34-6 > C11222 > C00018795 > GDM > Geldanamycin > 21983172; 21985437; 22050565; 22136518; 22138446; 22215907; 22277058; 22361388 $$$$