CDK 9/10/12,15:50 44 50 0 0 0 0 0 0 0 0999 V2000 11.0583 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8208 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4083 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8208 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4708 -1.6375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5208 -1.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2667 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 -0.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2958 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5292 -0.6542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1208 -0.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9208 -1.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4417 -3.0583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8583 -3.6417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5333 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5333 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1208 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8833 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0583 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2958 -1.6375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0708 -4.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9542 -0.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0583 0.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3542 0.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1958 1.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5250 1.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0625 -3.4250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2333 -0.9250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5333 -2.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8125 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8208 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8708 -4.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6792 0.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8083 -2.3375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7083 0.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4042 1.1833 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4875 -5.0208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0833 -5.4458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5083 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2333 0.5042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -1.9792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -2.4625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 4 3 1 0 0 0 0 5 8 1 0 0 0 0 1 6 1 6 0 0 0 7 9 1 0 0 0 0 8 1 1 0 0 0 0 9 3 1 0 0 0 0 10 1 1 0 0 0 0 11 10 1 0 0 0 0 12 5 1 0 0 0 0 13 11 1 0 0 0 0 14 4 1 0 0 0 0 9 15 1 1 0 0 0 16 15 1 0 0 0 0 17 19 1 0 0 0 0 13 18 1 6 0 0 0 19 22 1 0 0 0 0 20 11 1 0 0 0 0 21 8 1 0 0 0 0 22 10 1 0 0 0 0 23 16 1 0 0 0 0 12 24 1 6 0 0 0 25 24 1 0 0 0 0 26 18 2 0 0 0 0 27 18 1 0 0 0 0 28 26 1 0 0 0 0 29 16 2 0 0 0 0 4 30 1 1 0 0 0 31 19 2 0 0 0 0 32 27 2 0 0 0 0 33 25 2 0 0 0 0 34 23 2 0 0 0 0 5 35 1 1 0 0 0 7 36 1 0 0 0 0 11 37 1 6 0 0 0 38 25 1 0 0 0 0 39 23 1 0 0 0 0 40 34 1 0 0 0 0 41 38 1 0 0 0 0 8 42 1 6 0 0 0 10 43 1 6 0 0 0 2 44 1 1 0 0 0 6 2 1 0 0 0 0 21 20 1 0 0 0 0 4 5 1 0 0 0 0 12 7 1 0 0 0 0 7 14 1 6 0 0 0 13 17 1 0 0 0 0 32 28 1 0 0 0 0 M END > CHEBI:68096 > Chisomicine B > A natural product found in Chisocheton ceramicus. > 2 > (2R,4S,5R,9R,10R,13R,14R,15S,16R,18R,19R)-9-(3-Furyl)-18-hydroxy-15-(2-methoxy-2-oxoethyl)-10,14,16-trimethyl-7-oxo-3,8-dioxahexacyclo[14.2.1.0(2,4).0(4,13).0(5,10).0(14,18)]nonadec-19-yl (2E)-2-methy l-2-butenoate > C32H40O9 > 568.65460 > 568.26723 > 0 > [H][C@]12O[C@@]11[C@]([H])(CC[C@@]3(C)[C@@H](OC(=O)C[C@@]13[H])c1ccoc1)[C@@]1(C)[C@@H](CC(=O)OC)[C@@]3(C)C[C@@]1(O)C2[C@H]3OC(=O)C(\C)=C\C > InChI=1S/C32H40O9/c1-7-16(2)27(35)40-25-23-26-32(41-26)18(30(5)19(12-21(33)37-6)29(25,4)15-31(23,30)36)8-10-28(3)20(32)13-22(34)39-24(28)17-9-11-38-14-17/h7,9,11,14,18-20,23-26,36H,8,10,12-13,15H2,1-6H3/b16-7+/t18-,19+,20-,23?,24+,25-,26-,28-,29-,30+,31-,32-/m1/s1 > NVUJWJSHWTUKSE-JBAFMARGSA-N > 21428417 $$$$