Marvin 04221313372D 61 70 0 0 0 0 999 V2000 10.6771 -13.6102 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2973 -14.1820 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1256 -14.2228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8165 -13.5102 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0417 -12.7165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3563 -12.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7073 -12.7683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9943 -13.5404 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8037 -12.3964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5306 -12.7969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2324 -12.3675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2187 -11.5355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4872 -11.1394 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7832 -11.5708 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0551 -11.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4784 -11.9650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9593 -12.7670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7949 -13.2233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3962 -14.2192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5323 -14.2266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9033 -14.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8812 -14.4047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3335 -15.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7540 -15.5997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9261 -11.1113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2116 -10.7112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9066 -10.2832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1843 -9.8883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 -10.0681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2047 -11.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2029 -13.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2421 -12.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4788 -13.8114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7189 -10.8922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5062 -11.6934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2614 -13.4678 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7055 -14.1611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3187 -14.8907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7620 -15.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5860 -15.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9691 -14.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5279 -14.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1117 -12.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0344 -11.8881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9104 -12.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1715 -9.0650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4533 -8.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7476 -9.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7648 -9.9187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4876 -10.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0265 -8.6968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7660 -9.0337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 -7.8734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2893 -7.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2733 -6.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5842 -7.9011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9796 -6.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9640 -5.4056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2423 -5.0069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5349 -5.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5540 -6.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5 9 1 0 0 0 0 10 1 1 0 0 0 0 4 2 1 0 0 0 0 1 3 1 0 0 0 0 2 3 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 4 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 6 0 0 0 13 16 1 6 0 0 0 11 17 1 6 0 0 0 9 18 1 6 0 0 0 4 19 1 1 0 0 0 8 20 1 1 0 0 0 2 21 1 1 0 0 0 1 22 1 6 0 0 0 3 22 1 0 0 0 0 3 23 1 1 0 0 0 23 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 6 0 0 0 25 27 1 0 0 0 0 28 27 1 0 0 0 0 29 30 1 0 0 0 0 20 31 1 0 0 0 0 31 32 1 0 0 0 0 32 30 2 0 0 0 0 31 33 2 0 0 0 0 25 34 1 6 0 0 0 25 35 1 0 0 0 0 18 36 1 0 0 0 0 36 17 1 0 0 0 0 36 16 1 0 0 0 0 36 37 1 6 0 0 0 37 38 2 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 40 41 1 0 0 0 0 41 42 2 0 0 0 0 42 37 1 0 0 0 0 10 43 1 1 0 0 0 5 44 1 6 0 0 0 7 45 1 1 0 0 0 28 46 1 0 0 0 0 28 50 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 48 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 6 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 2 0 0 0 0 55 57 2 0 0 0 0 57 58 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 55 1 0 0 0 0 52 29 2 0 0 0 0 M END > CHEBI:66296 > rediocide G > A diterpenoid of the class of daphnane-type terpenes. Isolated from Trigonostemon reidioides, it exhibits cytotoxicity against various cancer cell lines. > 3 > C46H54O13 > 814.91320 > 814.35644 > 0 > [H][C@@]12C[C@H](C)[C@@H]3OC(=O)\C=C\C=C/[C@H](OC(=O)c4ccccc4)C4CCC(CC4)C[C@@](C)(O)[C@]4(O)[C@H]5O[C@]6(O[C@@H]4[C@]([H])([C@@H]4O[C@]4(CO)[C@@H](O)[C@@]13O)[C@]2(O6)[C@@H]5C)c1ccccc1 > InChI=1S/C46H54O13/c1-25-22-32-43(52)35(25)55-33(48)17-11-10-16-31(54-39(49)29-12-6-4-7-13-29)28-20-18-27(19-21-28)23-41(3,51)45(53)36-26(2)44(32)34(37-42(24-47,56-37)40(43)50)38(45)58-46(57-36,59-44)30-14-8-5-9-15-30/h4-17,25-28,31-32,34-38,40,47,50-53H,18-24H2,1-3H3/b16-10-,17-11+/t25-,26+,27?,28?,31-,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46-/m0/s1 > VAEBJJRRTFBWLJ-JKUKCDQCSA-N > 20035836 > 16204992 $$$$