epicriptine CDK 0223171740 null 46 52 0 0 0 0 0 0 0 0999 V2000 53.5556 54.2753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7306 54.2753 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 51.9076 54.2733 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 51.9076 52.8461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7306 52.8482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 53.1421 53.5606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.7306 51.6875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.0161 51.2739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3016 51.6875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.0161 50.4489 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 51.3036 50.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3036 49.2020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 50.5910 48.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.5910 47.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3036 47.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0161 47.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0161 48.7864 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 52.7285 49.2020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 52.7285 50.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.4430 48.7884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0161 49.6114 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 51.3036 46.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.8785 46.7064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 49.8785 47.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1661 47.9551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.1661 48.7864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.8785 49.2020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3036 48.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 53.5556 52.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9671 53.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9671 52.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.3220 52.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.4940 54.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 50.6669 54.9898 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 50.2554 55.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.5409 55.2908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2554 54.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.9076 55.7062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.7306 55.7062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 53.1421 54.9878 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 53.9671 54.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.9671 56.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.1421 56.4207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.3170 54.9878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 51.5062 56.4269 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 50.8511 54.4696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 40 2 1 0 0 0 0 3 4 1 0 0 0 0 33 3 1 1 0 0 0 5 4 1 0 0 0 0 4 32 2 0 0 0 0 5 7 1 1 0 0 0 5 29 1 6 0 0 0 5 6 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 10 8 1 1 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 12 11 1 0 0 0 0 12 13 1 0 0 0 0 17 12 1 0 0 0 0 12 28 1 6 0 0 0 13 14 2 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 22 2 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 17 21 1 1 0 0 0 17 18 1 0 0 0 0 18 20 1 0 0 0 0 19 18 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 24 25 2 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 34 33 1 0 0 0 0 33 38 1 0 0 0 0 33 46 1 6 0 0 0 34 35 1 0 0 0 0 34 37 1 6 0 0 0 35 36 1 0 0 0 0 38 45 2 0 0 0 0 39 38 1 0 0 0 0 39 43 1 0 0 0 0 40 39 1 0 0 0 0 40 41 1 0 0 0 0 40 44 1 6 0 0 0 41 42 1 0 0 0 0 43 42 1 0 0 0 0 M END > CHEBI:135927 > epicriptine > 2 > dihydro-beta-ergocryptine; dihydro-beta-ergocryptin; Dihydro-.beta.-ergocryptine mesylate; Dihydro-.beta.-ergocryptine mesilate; beta-dihydroergocryptine > C32H43N5O5 > 577.716 > 577.32642 > 0 > O[C@]12N(C([C@@](NC(=O)[C@@H]3C[C@@]4(C5=C6C(=CNC6=CC=C5)C[C@@]4([H])N(C)C3)[H])(C(C)C)O1)=O)[C@@]([C@@H](CC)C)(C(=O)N7CCC[C@@]27[H])[H] > InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,31-,32+/m1/s1 > SBFXHXZNBNFPHV-PXXBSISHSA-N > 88660-47-3 $$$$