CDK 1029232201 47 49 0 0 0 0 0 0 0 0999 V2000 5.6010 -1.7826 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6327 -0.9582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8071 -2.0071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 -0.6732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3332 -0.2312 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3483 -1.3215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7057 0.5050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0058 -0.7089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3707 -1.0689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8191 1.3222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0479 -1.8281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 -0.6368 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6437 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6609 2.1318 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2484 2.8463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4335 2.4211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8541 0.7726 0.0000 C 0 0 1 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 5.6263 3.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8852 3.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0704 1.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8314 1.5973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0445 0.6145 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 6.0583 4.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8619 3.6986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0143 1.7106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0777 2.3847 0.0000 O 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 4.0381 3.7440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0423 4.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 3.0495 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2442 3.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9575 4.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 5.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9910 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8921 4.2657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6157 5.8674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6479 4.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2155 4.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1912 3.4383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0088 6.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 5.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2214 6.1799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6144 6.7386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 2 0 0 0 0 5 2 1 0 0 0 0 3 6 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 1 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 13 2 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 1 0 0 0 18 15 1 0 0 0 0 15 19 1 6 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 6 0 0 0 19 26 1 0 0 0 0 20 27 2 0 0 0 0 28 20 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 26 31 1 0 0 0 0 28 32 1 0 0 0 0 28 33 1 1 0 0 0 34 30 1 0 0 0 0 32 35 1 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 34 38 1 1 0 0 0 35 39 2 0 0 0 0 37 40 2 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 38 43 1 0 0 0 0 40 44 1 0 0 0 0 41 45 2 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 4 6 1 0 0 0 0 34 35 1 0 0 0 0 45 46 1 0 0 0 0 M END > CHEBI:203071 > Ulongamide D > 2 > (2S,5S,8S,11S,14S,15R)-8-[(4-hydroxyphenyl)methyl]-2,6,9,14-tetramethyl-5,11-di(propan-2-yl)-15-propyl-12-oxa-20-thia-3,6,9,16,21-pentazabicyclo[16.2.1]henicosa-1(21),18-diene-4,7,10,13,17-pentone > C34H49N5O7S > 671.850 > 671.33527 > 0 > S1C2=NC(=C1)C(=O)N[C@@H]([C@@H](C(=O)O[C@@H](C(C)C)C(N([C@H](C(N([C@H](C(N[C@H]2C)=O)C(C)C)C)=O)CC3=CC=C(O)C=C3)C)=O)C)CCC > InChI=1S/C34H49N5O7S/c1-10-11-24-20(6)34(45)46-28(19(4)5)33(44)38(8)26(16-22-12-14-23(40)15-13-22)32(43)39(9)27(18(2)3)30(42)35-21(7)31-37-25(17-47-31)29(41)36-24/h12-15,17-21,24,26-28,40H,10-11,16H2,1-9H3,(H,35,42)(H,36,41)/t20-,21-,24+,26-,27-,28-/m0/s1 > FRWFEXMWAJIROC-FEHSMJKKSA-N $$$$