cortivazol CDK 0223171740 null 42 47 0 0 0 0 0 0 0 0999 V2000 1.7810 -2.3890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -3.2140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7810 -4.0451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4934 -2.7984 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0686 -2.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -4.4628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2058 -4.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4934 -1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 -2.3869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 -3.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3542 -3.2140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3542 -4.0451 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0686 -5.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2079 -1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7790 -1.5620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9203 -2.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3603 -2.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 -4.4628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3542 -5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9223 -1.9734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 -3.6378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 -5.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -4.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -6.5345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6368 -1.5620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -5.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -4.4628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3512 -1.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6368 -0.7370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7831 -5.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 -4.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 -5.2939 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2099 -4.4628 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 -5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 -5.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9244 -6.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3532 -5.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6368 -6.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3532 -6.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3542 -4.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0686 -3.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7810 -4.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 3 2 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 6 3 1 0 0 0 0 3 7 1 0 0 0 0 3 42 1 6 0 0 0 4 8 1 1 0 0 0 4 9 1 6 0 0 0 4 10 1 0 0 0 0 11 5 1 0 0 0 0 12 6 1 0 0 0 0 6 13 1 0 0 0 0 6 41 1 1 0 0 0 10 7 1 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 10 16 1 6 0 0 0 12 11 1 0 0 0 0 11 17 1 1 0 0 0 12 18 1 0 0 0 0 12 40 1 6 0 0 0 13 19 2 0 0 0 0 14 20 1 0 0 0 0 18 21 1 1 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 22 26 2 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 25 29 2 0 0 0 0 26 30 1 0 0 0 0 27 30 2 0 0 0 0 27 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 2 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:135820 > cortivazol > 2 > idaltim > C32H38N2O5 > 530.656 > 530.27807 > 0 > C[C@@]12[C@]([C@]3([C@]([C@H](C1)O)([C@]4(C)C(C(=C3)C)=CC5=C(C4)C=NN5C6=CC=CC=C6)[H])[H])(C[C@H]([C@@]2(C(COC(C)=O)=O)O)C)[H] > InChI=1S/C32H38N2O5/c1-18-11-23-25-12-19(2)32(38,28(37)17-39-20(3)35)31(25,5)15-27(36)29(23)30(4)14-21-16-33-34(26(21)13-24(18)30)22-9-7-6-8-10-22/h6-11,13,16,19,23,25,27,29,36,38H,12,14-15,17H2,1-5H3/t19-,23+,25+,27+,29-,30+,31+,32+/m1/s1 > RKHQGWMMUURILY-UHRZLXHJSA-N > 1110-40-3 $$$$