CDK 1030232201 39 47 0 0 0 0 0 0 0 0999 V2000 -2.4503 4.0655 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5365 3.2451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6965 4.4011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8690 2.7602 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3569 3.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0214 2.5777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0292 3.9162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6103 5.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9553 1.9397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1154 3.0957 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1254 5.8890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9459 5.9753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2878 1.4548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4479 2.6108 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2814 6.7289 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7663 6.0615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5342 1.7903 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3741 0.6343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1734 2.2181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1333 1.3054 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7067 0.1493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3117 1.9414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0470 0.4849 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8869 1.6409 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 -0.1132 -0.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 1.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8007 -0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4682 0.3356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0370 -0.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3882 -1.5349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 -0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0202 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9402 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 -2.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5214 -3.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -3.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 6 0 0 0 4 9 1 1 0 0 0 10 4 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 13 9 1 1 0 0 0 14 10 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 17 13 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 6 0 0 0 20 17 1 0 0 0 0 18 21 1 0 0 0 0 20 22 1 6 0 0 0 23 20 1 0 0 0 0 20 24 1 0 0 0 0 25 23 1 0 0 0 0 23 26 1 1 0 0 0 24 27 1 0 0 0 0 25 28 1 0 0 0 0 29 25 1 0 0 0 0 25 30 1 6 0 0 0 28 31 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 6 0 0 0 31 34 1 0 0 0 0 32 35 1 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 10 7 1 6 0 0 0 11 12 1 0 0 0 0 14 17 1 0 0 0 0 17 19 1 6 0 0 0 21 23 1 0 0 0 0 27 29 1 0 0 0 0 32 33 1 0 0 0 0 34 35 2 0 0 0 0 38 39 1 0 0 0 0 M END > CHEBI:211490 > Terpendole A > 2 > (1S,2R,13R,16R,17R,19S,20S,22R,25R,27R)-22-(3,3-dimethyloxiran-2-yl)-1,2,24,24-tetramethyl-18,21,23,26-tetraoxa-4-azaoctacyclo[14.13.0.02,13.03,11.05,10.017,19.017,27.020,25]nonacosa-3(11),5,7,9-tetraen-16-ol > C32H41NO6 > 535.681 > 535.29339 > 0 > O1C([C@@H]2O[C@H]3[C@]4([C@]5(O)[C@@]([C@@]6(C=7NC=8C=CC=CC8C7C[C@H]6CC5)C)(C)CC3)[C@H]([C@H]2O[C@H]1C9OC9(C)C)O4)(C)C > InChI=1S/C32H41NO6/c1-27(2)23-21(36-26(39-27)25-28(3,4)37-25)24-32(38-24)20(35-23)12-13-29(5)30(6)16(11-14-31(29,32)34)15-18-17-9-7-8-10-19(17)33-22(18)30/h7-10,16,20-21,23-26,33-34H,11-15H2,1-6H3/t16-,20-,21+,23-,24+,25?,26-,29+,30+,31-,32-/m1/s1 > XTBDVXSMPXFDAU-NYBSUTBHSA-N $$$$