14166134 CDK 1203211124 35 40 0 0 0 0 0 0 0 0999 V2000 3.5196 1.4530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3077 3.6145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0938 3.1785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3411 -1.7908 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4975 -0.2432 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7831 0.1693 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2120 0.1693 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7831 0.9943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0457 -0.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2120 0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4975 1.4067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6701 -1.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8200 -0.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0457 1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4858 -1.1299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9672 -0.8751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 -0.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 0.1521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 1.0114 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6539 -1.9276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0663 2.3302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9479 -2.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5196 2.3481 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2982 2.7896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3958 -2.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8067 2.7633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9348 -3.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4023 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6669 -3.6145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 2.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2220 3.4762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8529 0.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 0.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 0.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9116 1.9986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 24 2 0 0 0 0 3 26 1 0 0 0 0 4 12 1 0 0 0 0 4 22 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 1 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 17 1 6 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 6 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 33 1 1 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 14 21 2 0 0 0 0 15 20 1 0 0 0 0 18 19 1 0 0 0 0 19 34 1 1 0 0 0 20 22 1 0 0 0 0 20 25 2 0 0 0 0 21 24 1 0 0 0 0 22 27 2 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 23 35 1 1 0 0 0 25 28 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 M END > CHEBI:187070 > Dehydroxypaxilline > 2 > 13-desoxypaxilline > (1S,2S,5S,7R,11R,14S)-7-(2-hydroxypropan-2-yl)-1,2-dimethyl-6-oxa-23-azahexacyclo[12.10.0.02,11.05,10.016,24.017,22]tetracosa-9,16(24),17,19,21-pentaen-8-one > C27H33NO3 > 419.565 > 419.24604 > 0 > O1[C@@]2(C([C@]3([C@@]([C@@]4([C@@](CC3)(CC5=C4NC=6C5=CC=CC6)[H])C)(CC2)C)[H])=CC(=O)[C@]1(C(O)(C)C)[H])[H] > InChI=1S/C27H33NO3/c1-25(2,30)24-21(29)14-18-19-10-9-15-13-17-16-7-5-6-8-20(16)28-23(17)27(15,4)26(19,3)12-11-22(18)31-24/h5-8,14-15,19,22,24,28,30H,9-13H2,1-4H3/t15-,19-,22-,24-,26-,27+/m0/s1 > GYSZYWSJZCKCBD-LXGUAGHKSA-N > C20531 $$$$