90472146 CDK 0601212310 37 42 0 0 0 0 0 0 0 0999 V2000 4.6696 -1.2542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8926 -1.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9784 -1.6895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2024 1.5460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 1.9171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1452 -2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8979 -0.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2765 2.9556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 -0.8361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7063 -0.4236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1352 -0.4236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7063 0.4013 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4075 -1.6953 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9688 0.8425 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1352 0.4013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4208 0.8138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 0.4186 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9688 -0.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8859 -0.8417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2427 -1.3523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 -0.4408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8496 -0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0953 1.6758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1484 -2.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4414 0.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6865 1.2494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5955 -0.4210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5243 2.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 0.5050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1300 -0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 2.2380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3530 -0.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4772 0.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3136 0.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0499 -2.2985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 0.0277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 13 1 0 0 0 0 2 19 1 0 0 0 0 2 24 1 0 0 0 0 3 18 2 0 0 0 0 4 25 1 0 0 0 0 4 31 1 0 0 0 0 5 23 1 0 0 0 0 6 24 2 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 18 1 0 0 0 0 10 20 1 1 0 0 0 11 15 1 0 0 0 0 11 19 1 0 0 0 0 11 22 1 6 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 35 1 6 0 0 0 13 24 1 0 0 0 0 13 36 1 6 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 14 26 1 1 0 0 0 15 16 1 0 0 0 0 17 21 1 0 0 0 0 17 25 1 0 0 0 0 17 37 1 6 0 0 0 18 21 1 0 0 0 0 19 27 1 6 0 0 0 23 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 27 32 1 0 0 0 0 27 33 2 0 0 0 0 28 31 1 0 0 0 0 32 34 2 0 0 0 0 M END > CHEBI:173158 > Deacetylnomilin > 2 > (1R,2R,4S,7S,8S,11R,12R,18R)-7-(uran-3-yl)-13-hydroxy-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.02,4.02,8.012,18]icosane-5,15,20-trione > C26H32O8 > 472.534 > 472.20972 > 0 > O1[C@@]23[C@]4([C@@]([C@@]5([C@@](CC4=O)(C(OC(=O)CC5O)(C)C)[H])C)(CC[C@]2([C@@H](OC(=O)[C@@]13[H])C=6C=COC6)C)[H])C > InChI=1S/C26H32O8/c1-22(2)15-10-17(28)25(5)14(24(15,4)16(27)11-18(29)33-22)6-8-23(3)19(13-7-9-31-12-13)32-21(30)20-26(23,25)34-20/h7,9,12,14-16,19-20,27H,6,8,10-11H2,1-5H3/t14-,15+,16?,19+,20-,23+,24-,25+,26-/m1/s1 > HWAJASVMTDEFJN-MKBHYRRPSA-N $$$$