CDK 1030232203 37 42 0 0 0 0 0 0 0 0999 V2000 6.4302 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7158 -3.7125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2869 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0013 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6694 -3.4077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6597 -4.4189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0013 -4.1250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5723 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2869 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2532 -3.9907 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9496 -4.6431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 -4.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4658 -5.7047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2280 -4.4123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6872 -5.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5723 -4.1250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9331 -4.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2258 -5.4778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0182 -3.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0253 -5.8325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4913 -6.5145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3099 -5.5666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 0.0000 0.0000 C 0 0 2 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 -0.4125 0.0000 C 0 0 2 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 0.7144 0.0000 0.0000 N 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 0.0000 -0.4125 0.0000 C 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 4 2 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 1 0 0 0 9 4 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 12 2 0 0 0 0 13 7 1 0 0 0 0 8 14 1 1 0 0 0 8 15 1 0 0 0 0 16 8 1 0 0 0 0 9 17 1 1 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 2 0 0 0 0 11 21 2 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 1 0 0 0 15 25 2 0 0 0 0 16 26 1 1 0 0 0 16 27 1 0 0 0 0 28 20 1 1 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 31 29 1 0 0 0 0 30 32 1 0 0 0 0 33 31 1 0 0 0 0 31 34 1 6 0 0 0 33 35 1 6 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 9 11 1 0 0 0 0 12 20 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 18 27 1 0 0 0 0 32 33 1 0 0 0 0 M END > CHEBI:224547 > Monacyclinone K > 2 > (1S,10R,13R,15R,18S)-6-[(2R,5S,6S)-5-(dimethylamino)-6-methyloxan-2-yl]-7,10,13,18-tetrahydroxy-15-methyl-19-oxapentacyclo[13.3.1.01,10.03,8.013,18]nonadeca-3(8),4,6-triene-2,9,17-trione > C27H33NO9 > 515.559 > 515.21553 > 0 > O=C1C2=C(C(O)=C([C@@H]3O[C@H]([C@@H](N(C)C)CC3)C)C=C2)C(=O)[C@@]4([C@@]15O[C@]6(CC([C@]5(O)[C@@](O)(CC4)C6)=O)C)O > InChI=1S/C27H33NO9/c1-13-16(28(3)4)7-8-17(36-13)14-5-6-15-19(20(14)30)22(32)25(34)10-9-24(33)12-23(2)11-18(29)26(24,35)27(25,37-23)21(15)31/h5-6,13,16-17,30,33-35H,7-12H2,1-4H3/t13-,16-,17+,23-,24+,25-,26-,27-/m0/s1 > NBEAOWWLYZCVPB-FBCFQUMWSA-N $$$$