CDK 1028232202 38 43 0 0 0 0 0 0 0 0999 V2000 2.8579 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 4.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 5.7750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 4.5375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 6.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 4.9500 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 1.4290 7.0125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 5.7750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 4.5375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 7.4250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 3.7125 0.0000 C 0 0 2 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 2.1434 8.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7144 8.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7144 3.3000 0.0000 C 0 0 1 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 2.0625 0.0000 C 0 0 2 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 1.4290 2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 8.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4290 3.7125 0.0000 O 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 0.0000 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 0.7144 0.8250 0.0000 C 0 0 2 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 0.0000 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 0.4125 0.0000 O 0 0 0 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 -1.4290 1.2375 0.0000 O 0 0 0 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 1.4290 -0.4125 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 -1.4290 0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1434 0.0000 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 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 14 10 1 0 0 0 0 15 11 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 18 14 1 0 0 0 0 14 19 1 1 0 0 0 20 15 1 0 0 0 0 15 21 1 0 0 0 0 15 22 1 1 0 0 0 16 23 2 0 0 0 0 18 24 1 6 0 0 0 18 25 1 0 0 0 0 26 20 1 0 0 0 0 21 27 1 0 0 0 0 26 28 1 1 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 6 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 30 34 1 0 0 0 0 32 35 2 0 0 0 0 32 36 1 0 0 0 0 33 37 1 0 0 0 0 37 38 2 0 0 0 0 6 9 1 0 0 0 0 11 14 1 0 0 0 0 17 23 1 0 0 0 0 20 25 1 1 0 0 0 27 28 1 0 0 0 0 34 37 1 0 0 0 0 M END > CHEBI:200162 > Pileotin A > 2 > (2R,5R,6R,7S,9S,10R)-5,9-dihydroxy-2,10-dimethyl-5-prop-1-en-2-yl-14-pyridin-3-ylspiro[11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),12(17),13-triene-6,5'-oxane]-2',16-dione > C30H33NO7 > 519.594 > 519.22570 > 0 > O=C1OC(C2=CN=CC=C2)=CC3=C1C=C4[C@]5([C@@H]([C@@]6([C@](O)(C(=C)C)CC5)COC(=O)CC6)C[C@@H]([C@@]4(O3)C)O)C > InChI=1S/C30H33NO7/c1-17(2)30(35)10-9-27(3)22-12-19-21(13-20(37-26(19)34)18-6-5-11-31-15-18)38-28(22,4)24(32)14-23(27)29(30)8-7-25(33)36-16-29/h5-6,11-13,15,23-24,32,35H,1,7-10,14,16H2,2-4H3/t23-,24-,27-,28+,29-,30+/m0/s1 > GHODSEBRMSIFPD-WKFBYQISSA-N $$$$