Marvin 07090715122D 35 40 0 0 1 0 999 V2000 0.0000 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0000 0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7846 0.6675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0901 0.0864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4255 0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1201 1.4212 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6351 2.0886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9406 1.5075 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2761 2.2612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.6675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3914 -1.3291 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0394 -1.4522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3985 -1.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8464 -1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1013 -2.4084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6163 -3.0758 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8859 -2.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -3.7433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8858 -3.4884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7847 0.6674 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7847 1.4924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2695 0.0001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6820 0.7146 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7847 -2.0057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6984 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9840 0.4124 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.9840 1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2695 -0.0001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9840 -0.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7847 -0.6674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6097 -0.6674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3844 -2.0057 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7969 -2.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 0 0 0 0 1 32 1 0 0 0 0 1 12 1 6 0 0 0 2 1 1 0 0 0 0 22 2 1 0 0 0 0 3 2 1 0 0 0 0 2 13 1 6 0 0 0 6 3 1 0 0 0 0 3 24 1 0 0 0 0 3 11 1 1 0 0 0 24 4 1 0 0 0 0 4 5 1 0 0 0 0 8 5 1 0 0 0 0 8 6 1 0 0 0 0 6 7 1 1 0 0 0 8 9 1 6 0 0 0 30 10 1 0 0 0 0 10 14 1 1 0 0 0 34 11 1 1 0 0 0 14 16 1 0 0 0 0 16 15 2 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 17 2 0 0 0 0 20 18 1 0 0 0 0 21 19 1 0 0 0 0 21 20 2 0 0 0 0 22 30 1 0 0 0 0 22 23 1 6 0 0 0 22 34 1 0 0 0 0 34 26 1 0 0 0 0 32 24 1 0 0 0 0 24 25 1 6 0 0 0 32 26 1 0 0 0 0 30 28 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 6 0 0 0 32 33 1 6 0 0 0 34 35 1 0 0 0 0 M END > CHEBI:8925 > ryanodine > An insecticide alkaloid isolated from South American plant Ryania speciosa. > 3 > ryanodol, 3-(1H-pyrrole-2-carboxylate); Ryanodine; Ryanodin; Ryania; (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-7-isopropyl-3,6a,9-trimethyldodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate > (3S,4R,4aR,6S,6aR,7S,8R,8aS,8bR,9S,9aS)-4,6,7,8a,8b,9a-hexahydroxy-3,6a,9-trimethyl-7-(propan-2-yl)dodecahydro-6,9-methanobenzo[1,2]pentaleno[1,6-bc]furan-8-yl 1H-pyrrole-2-carboxylate > C25H35NO9 > 493.54674 > 493.23118 > 0 > CC(C)[C@@]1(O)[C@@H](OC(=O)c2ccc[nH]2)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@@]14C > InChI=1S/C25H35NO9/c1-12(2)22(31)17(34-16(28)14-7-6-10-26-14)23(32)18(4)11-21(30)19(22,5)25(23,33)24(35-21)15(27)13(3)8-9-20(18,24)29/h6-7,10,12-13,15,17,26-27,29-33H,8-9,11H2,1-5H3/t13-,15+,17+,18-,19+,20-,21-,22+,23+,24+,25+/m0/s1 > JJSYXNQGLHBRRK-SFEDZAPPSA-N > 6079034 > 15662-33-6 > 15662-33-6 > C08705 > C00001661 $$$$