22524708 CDK 0110221632 39 40 0 0 0 0 0 0 0 0999 V2000 4.7595 -3.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2343 -0.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 2.1106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7946 3.3589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 -1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 -1.6990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1414 0.3010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2091 3.7108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8112 1.8010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 0.3010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4919 3.4847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 -2.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 -3.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3576 -2.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9184 -0.9451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 -2.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8762 -1.7972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1773 0.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9525 -1.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 -1.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4702 1.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1773 2.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7595 -4.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2754 -1.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5463 0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2754 -0.1990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 0.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1773 2.4350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 3.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4158 3.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6773 1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4034 4.1522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 1.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5433 2.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4093 1.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 3 23 1 0 0 0 0 3 34 1 0 0 0 0 4 25 1 0 0 0 0 4 36 1 0 0 0 0 5 24 1 0 0 0 0 6 27 2 0 0 0 0 7 30 2 0 0 0 0 8 34 2 0 0 0 0 9 35 2 0 0 0 0 10 29 1 0 0 0 0 10 35 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 19 22 2 0 0 0 0 21 24 2 0 0 0 0 21 27 1 0 0 0 0 22 23 1 0 0 0 0 22 28 1 0 0 0 0 23 25 1 0 0 0 0 24 29 1 0 0 0 0 25 32 1 0 0 0 0 27 30 1 0 0 0 0 29 31 2 0 0 0 0 30 31 1 0 0 0 0 32 33 2 0 0 0 0 33 38 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 M END > CHEBI:189018 > Geldanamycin Analog > 2 > [(4Z,6E,10E)-13,22-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl] carbamate > C28H38N2O9 > 546.617 > 546.25773 > 0 > O(C1CC(CC2=C(O)C(NC(=O)C(=CC=CC(OC)C(OC(=O)N)C(=CC(C1O)C)C)C)=CC(=O)C2=O)C)C > InChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-33H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7+,15-8-,17-12+ > AFFSZNHAULCEKY-WBYSVDBMSA-N $$$$