CDK 1030232201 32 34 0 0 0 0 0 0 0 0999 V2000 -0.7144 -4.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -4.1250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4125 -4.4269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8250 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7144 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4290 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 -2.0625 0.0000 C 0 0 0 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 -1.4290 -0.4125 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 0.7144 0.0000 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 -0.7144 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 0.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 0.8250 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4303 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -1.2375 0.0000 O 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 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 2 0 0 0 0 10 5 1 0 0 0 0 9 11 1 0 0 0 0 12 10 1 0 0 0 0 13 11 1 1 0 0 0 12 14 1 0 0 0 0 12 15 1 1 0 0 0 16 13 1 0 0 0 0 14 17 1 0 0 0 0 18 16 1 0 0 0 0 16 19 1 0 0 0 0 16 20 1 1 0 0 0 18 21 1 6 0 0 0 19 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 28 27 1 0 0 0 0 28 29 1 6 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 10 8 1 1 0 0 0 12 13 1 0 0 0 0 17 18 1 0 0 0 0 M END > CHEBI:211982 > Atolypene A > 2 > (E,2S)-8-[(1S,2S,4aR,4bS,10aR)-1,2,4a,8,8-pentamethyl-7-oxo-2,3,4,4b,5,6,10,10a-octahydrophenanthren-1-yl]-2-amino-6-methyloct-5-enoic acid > C28H45NO3 > 443.672 > 443.33994 > 0 > O=C1C(C2=CC[C@@H]3[C@]([C@@H](C)CC[C@]3([C@@H]2CC1)C)(CC/C(=C/CC[C@H](N)C(=O)O)/C)C)(C)C > InChI=1S/C28H45NO3/c1-18(8-7-9-22(29)25(31)32)14-16-27(5)19(2)15-17-28(6)21-11-13-24(30)26(3,4)20(21)10-12-23(27)28/h8,10,19,21-23H,7,9,11-17,29H2,1-6H3,(H,31,32)/b18-8+/t19-,21+,22-,23+,27-,28-/m0/s1 > IQSLRUKIZOBDLU-GVYOKUMQSA-N $$$$