CDK 1030232200 47 47 0 0 0 0 0 0 0 0999 V2000 7.3471 -1.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6576 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9548 -0.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4626 -1.2493 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4302 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2826 -1.1586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4172 -2.0731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1410 0.7726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0287 -0.8064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6810 -2.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1078 -2.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1182 1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4988 -1.4844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6200 -0.2312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2869 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3010 1.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3646 2.3847 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9926 0.5050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2848 -0.7197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8531 3.0495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1058 1.3221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5311 3.5195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9305 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9477 2.1318 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 4.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3249 3.7440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5352 2.8463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7203 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1487 3.6986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9131 3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8561 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3291 4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3451 4.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2193 3.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6287 3.5242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1165 4.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7222 5.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 6 0 0 0 4 6 1 0 0 0 0 4 7 1 1 0 0 0 8 5 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 1 0 0 0 9 15 1 0 0 0 0 10 16 2 0 0 0 0 17 10 1 0 0 0 0 18 13 1 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 1 0 0 0 18 23 1 0 0 0 0 18 24 1 1 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 26 29 2 0 0 0 0 30 26 1 0 0 0 0 27 31 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 30 34 1 0 0 0 0 30 35 1 6 0 0 0 31 36 1 0 0 0 0 37 33 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 1 0 0 0 38 42 2 0 0 0 0 39 43 1 0 0 0 0 39 44 1 0 0 0 0 40 45 1 0 0 0 0 41 46 1 0 0 0 0 41 47 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:208726 > Scopularide D > 2 > (3S,6S,9R,12S,19S)-6-methyl-19-[(2S,4S)-4-methyldecan-2-yl]-9-(2-methylpropyl)-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadecane-2,5,8,11,14,17-hexone > C35H63N5O7 > 665.917 > 665.47275 > 0 > O=C1O[C@H]([C@H](C[C@H](CCCCCC)C)C)CC(=O)NCC(=O)N[C@@H](C(C)C)C(N[C@@H](C(N[C@H](C(N[C@H]1C(C)C)=O)C)=O)CC(C)C)=O > InChI=1S/C35H63N5O7/c1-11-12-13-14-15-23(8)17-24(9)27-18-28(41)36-19-29(42)39-30(21(4)5)34(45)38-26(16-20(2)3)33(44)37-25(10)32(43)40-31(22(6)7)35(46)47-27/h20-27,30-31H,11-19H2,1-10H3,(H,36,41)(H,37,44)(H,38,45)(H,39,42)(H,40,43)/t23-,24-,25-,26+,27-,30-,31-/m0/s1 > CSJVUDGCIHMRRC-ORJUUISASA-N $$$$