Mrv1652304292203402D 37 43 0 0 1 0 999 V2000 3.2677 2.9835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 2.2959 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1864 1.5566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0729 1.5199 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5304 2.2356 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1098 2.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3880 2.1917 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7839 1.4556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3532 0.7455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7363 0.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 0.7945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8292 2.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5245 3.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1596 4.1822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8567 3.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 2.9416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9618 2.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6117 0.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5246 0.9814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8243 1.4043 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8147 2.1309 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6179 2.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9343 1.8526 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9778 0.7576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4637 0.0070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2933 0.1819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8547 -0.4227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1467 -0.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 1.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1914 0.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 2.3268 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4890 1.9793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5622 1.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 2.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9123 2.1061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3324 3.1486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6427 0.5995 0.0000 O 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 4 11 1 0 0 0 0 7 12 1 6 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 12 16 1 0 0 0 0 5 17 1 6 0 0 0 4 18 1 6 0 0 0 3 18 1 1 0 0 0 3 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 2 21 1 0 0 0 0 21 22 1 6 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 19 26 1 1 0 0 0 26 27 2 0 0 0 0 25 28 1 1 0 0 0 24 29 1 0 0 0 0 20 29 1 0 0 0 0 24 30 1 1 0 0 0 23 31 1 6 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 31 36 1 1 0 0 0 20 37 1 6 0 0 0 M END > NP0080678 > NP-MRD > COC(=O)[C@@H](O)[C@H]1[C@@]2(C)C[C@]3(O)[C@H](C(=O)[C@H]2O)[C@@]24O[C@]22CC(=O)O[C@@H](C5=COC=C5)[C@]2(C)CC[C@@H]4[C@]13C > InChI=1S/C27H32O10/c1-22-11-25(33)18(15(29)19(22)31)27-13(24(25,3)17(22)16(30)21(32)34-4)5-7-23(2)20(12-6-8-35-10-12)36-14(28)9-26(23,27)37-27/h6,8,10,13,16-20,30-31,33H,5,7,9,11H2,1-4H3/t13-,16+,17+,18+,19-,20+,22-,23+,24-,25+,26+,27-/m1/s1 > SZIDPCXTWHHMAY-JHBCGCOCSA-N > C27H32O10 > 516.543 > 516.19954723 > NP0080678 > (+)-Khayanolide A $$$$