Mrv1652309042203592D 35 39 0 0 1 0 999 V2000 12.1896 -1.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3863 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8220 -1.2301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0034 -1.3329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5321 -2.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7100 -1.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4401 -1.1094 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5697 -0.9545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2924 -1.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3090 -2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6030 -2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8804 -2.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8637 -1.3814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1744 -2.6331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4517 -2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7457 -2.6619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0231 -2.2639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0064 -1.4391 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4421 -0.8373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8401 -0.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4509 0.6128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6957 -0.1874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4017 0.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3851 1.0643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1244 -0.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8304 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5530 -0.1297 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3324 0.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8307 -0.5165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6527 -0.5861 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2545 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9772 -0.4198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7239 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7124 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4351 -1.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 6 0 0 0 5 6 2 0 0 0 0 7 6 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 1 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 4 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 1 6 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 8 27 1 0 0 0 0 27 28 1 6 0 0 0 29 28 1 6 0 0 0 7 29 1 0 0 0 0 29 30 1 0 0 0 0 4 30 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 0 0 0 0 3 32 1 0 0 0 0 32 33 1 1 0 0 0 22 34 1 0 0 0 0 18 34 1 0 0 0 0 34 35 2 0 0 0 0 M END > NP0186227 > NP-MRD > CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4\C=C\C(\O)=C5\C(O)=N[C@@H](CCCN=C(O)\C=C/C[C@@H]4[C@H]3C=C[C@@H]12)C5=O > InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1 > GHXZHWYUSAWISC-KZRBWAKNSA-N > C29H38N2O4 > 478.633 > 478.283157712 > 6 > 73 > 52.97003344174402 > 1 > 3 > 0 > 0 > (3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2,20,27-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0^{5,16}.0^{7,15}.0^{8,12}]octacosa-1,3,13,18,20,26-hexaen-28-one > 3.4148577989428146 > 0 > 5 > -1 > 4.962974228634341 > 3.9248900734428998 > 6.7889999622840955 > 102.48000000000002 > 140.87709999999998 > 1 > 1 > (3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2,20,27-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0^{5,16}.0^{7,15}.0^{8,12}]octacosa-1,3,13,18,20,26-hexaen-28-one > 0 > NP0186227 > (1e,3e,5s,7r,8r,10r,11r,12s,15r,16s,18z,25s)-11-ethyl-2,20,27-trihydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.0⁵,¹⁶.0⁷,¹⁵.0⁸,¹²]octacosa-1,3,13,18,20,26-hexaen-28-one $$$$