CDK 1030232201 34 40 0 0 0 0 0 0 0 0999 V2000 3.1981 0.7004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8625 -0.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0421 -0.1395 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3475 -0.7207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7065 -0.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0119 -1.4744 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1177 -0.4251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2574 1.2195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1914 -1.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8860 -0.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8714 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4369 1.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1014 0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8559 -2.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0612 -2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5125 -0.2415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1670 -1.5309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 1.9731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7191 0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8314 -2.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2044 -0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5557 0.5824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 -1.4877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8685 1.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2040 1.1332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0240 -3.0867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6225 -2.5188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9395 -0.3163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2908 0.9569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9827 0.5077 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 2 4 1 0 0 0 0 5 3 1 0 0 0 0 6 3 1 1 0 0 0 4 7 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 1 0 0 0 10 5 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 6 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 15 22 1 0 0 0 0 17 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 2 0 0 0 0 23 29 2 0 0 0 0 24 30 1 0 0 0 0 24 31 1 0 0 0 0 25 32 1 0 0 0 0 26 33 2 0 0 0 0 32 34 2 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 15 17 2 0 0 0 0 21 24 1 0 0 0 0 25 27 1 0 0 0 0 28 29 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:210401 > Okaramine I > 2 > (1Z,4S,12R,14R,17Z)-12-hydroxy-19,19-dimethyl-3,5,16,21-tetrazaheptacyclo[14.13.0.03,14.04,12.06,11.020,28.022,27]nonacosa-1(29),6,8,10,17,20(28),22,24,26-nonaene-2,15-dione > C27H24N4O3 > 452.514 > 452.18484 > 0 > O=C1N2[C@@H]3NC=4C=CC=CC4[C@]3(O)C[C@@H]2C(=O)N5C1=CC=6C7=C(C=CC=C7)NC6C(C=C5)(C)C > InChI=1S/C27H24N4O3/c1-26(2)11-12-30-20(13-16-15-7-3-5-9-18(15)28-22(16)26)24(33)31-21(23(30)32)14-27(34)17-8-4-6-10-19(17)29-25(27)31/h3-13,21,25,28-29,34H,14H2,1-2H3/b12-11-,20-13-/t21-,25+,27-/m1/s1 > CTRNZLRKISVIAG-LBJKZLEUSA-N $$$$