CDK 1030232202 41 46 0 0 0 0 0 0 0 0999 V2000 1.2666 -0.8990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0894 -1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 -2.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -0.6900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8556 -2.8003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3876 -1.4276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5416 -0.5185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1826 -0.0770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3020 -3.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6577 -2.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4814 -1.3213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3358 -0.7417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7965 0.2661 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4375 0.7077 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7354 -4.0935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0199 -3.9006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6033 -1.5220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0514 1.0507 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2445 0.8792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8855 1.3207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7967 -4.6948 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8444 -3.9272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2029 -2.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 1.6862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1404 2.1054 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 0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5868 -3.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 -4.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0771 -2.9040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0862 -1.2329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7536 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8387 -3.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4658 -1.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3057 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1481 -2.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 -2.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5961 -2.8022 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 1 0 0 0 3 5 2 0 0 0 0 4 6 1 0 0 0 0 7 4 1 0 0 0 0 8 4 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 6 0 0 0 13 7 1 0 0 0 0 8 14 1 6 0 0 0 15 8 1 0 0 0 0 9 16 2 0 0 0 0 17 9 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 1 0 0 0 20 13 1 0 0 0 0 14 21 1 6 0 0 0 22 15 1 0 0 0 0 17 23 1 1 0 0 0 17 24 1 0 0 0 0 18 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 22 29 1 6 0 0 0 24 30 2 0 0 0 0 24 31 1 0 0 0 0 32 25 1 0 0 0 0 28 33 1 0 0 0 0 28 34 2 0 0 0 0 32 35 1 6 0 0 0 33 36 2 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 36 39 1 0 0 0 0 37 40 2 0 0 0 0 39 41 2 0 0 0 0 15 11 1 1 0 0 0 14 20 1 0 0 0 0 20 19 1 1 0 0 0 30 32 1 0 0 0 0 36 38 1 0 0 0 0 40 41 1 0 0 0 0 M END > CHEBI:219830 > Chaetoglobosin K > 2 > (1R,3E,6R,7Z,9S,11E,13R,14S,16R,17S,18R,19S)-17-ethyl-6-hydroxy-19-[(1S)-1-(1H-indol-3-yl)ethyl]-7,9,16-trimethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-3,7,11-triene-2,5,21-trione > C34H40N2O5 > 556.703 > 556.29372 > 0 > O=C1C=CC(=O)[C@H](O)C(=C[C@H](CC=C[C@@H]2[C@@]13C(=O)N[C@H]([C@@H]3[C@H](CC)[C@@]4([C@H]2O4)C)[C@H](C=5C6=C(C=CC=C6)NC5)C)C)C > InChI=1S/C34H40N2O5/c1-6-23-28-29(20(4)22-17-35-25-13-8-7-11-21(22)25)36-32(40)34(28)24(31-33(23,5)41-31)12-9-10-18(2)16-19(3)30(39)26(37)14-15-27(34)38/h7-9,11-18,20,23-24,28-31,35,39H,6,10H2,1-5H3,(H,36,40)/b12-9+,15-14+,19-16-/t18-,20-,23-,24-,28-,29-,30+,31-,33+,34+/m0/s1 > RSYKJHLWNMXRKZ-RVUXUPINSA-N $$$$