Marvin 04221312192D 62 71 0 0 0 0 999 V2000 10.5283 -12.3060 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1526 -12.8798 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9794 -12.9208 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6745 -12.2056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8961 -11.4137 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2129 -10.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5660 -11.4657 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8494 -12.2359 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6563 -11.0968 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3858 -11.4943 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0856 -11.0679 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0718 -10.2374 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3423 -9.8401 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6358 -10.2729 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9096 -9.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3333 -10.6641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8105 -11.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6475 -11.9222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2528 -12.9170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3905 -12.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7731 -11.2394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7572 -13.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 -13.0989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1880 -13.7121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6065 -14.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7772 -9.8118 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0648 -9.4148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7577 -8.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0373 -8.5889 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3319 -9.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6111 -8.6017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6066 -7.7749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4560 -7.7930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6163 -8.7924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4306 -8.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6538 -9.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8084 -10.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7817 -12.4766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7817 -11.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1246 -12.9753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3982 -7.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6015 -7.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3845 -6.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0216 -8.3683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8359 -7.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0206 -7.1889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5683 -9.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3548 -10.3915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1147 -12.1631 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5558 -12.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1722 -13.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6125 -14.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4350 -14.2491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8194 -13.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3767 -12.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9654 -10.7775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8888 -10.5867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9668 -6.4007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 -5.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -5.3953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3707 -5.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5902 -6.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 0 29 30 1 0 0 0 0 14 13 1 0 0 0 0 30 31 1 0 0 0 0 3 1 1 0 0 0 0 31 32 1 0 0 0 0 14 15 1 6 0 0 0 32 33 1 0 0 0 0 33 29 1 0 0 0 0 5 6 1 0 0 0 0 32 34 1 0 0 0 0 13 16 1 6 0 0 0 34 35 1 0 0 0 0 7 6 1 0 0 0 0 35 36 2 0 0 0 0 11 17 1 6 0 0 0 36 37 1 0 0 0 0 8 7 1 0 0 0 0 20 38 1 0 0 0 0 9 18 1 6 0 0 0 38 39 1 0 0 0 0 39 37 2 0 0 0 0 4 8 1 0 0 0 0 38 40 2 0 0 0 0 4 19 1 1 0 0 0 34 41 1 6 0 0 0 10 9 1 0 0 0 0 41 42 1 0 0 0 0 8 20 1 1 0 0 0 42 43 1 0 0 0 0 3 2 1 0 0 0 0 42 44 2 0 0 0 0 7 21 1 1 0 0 0 33 45 1 1 0 0 0 4 5 1 0 0 0 0 32 46 1 1 0 0 0 2 22 1 1 0 0 0 26 47 1 6 0 0 0 1 10 1 0 0 0 0 26 48 1 1 0 0 0 1 23 1 6 0 0 0 18 49 1 0 0 0 0 49 17 1 0 0 0 0 49 16 1 0 0 0 0 3 23 1 0 0 0 0 49 50 1 6 0 0 0 9 5 1 0 0 0 0 50 51 2 0 0 0 0 3 24 1 1 0 0 0 51 52 1 0 0 0 0 2 4 1 0 0 0 0 52 53 2 0 0 0 0 24 25 1 0 0 0 0 53 54 1 0 0 0 0 54 55 2 0 0 0 0 55 50 1 0 0 0 0 12 26 1 0 0 0 0 10 56 1 1 0 0 0 9 14 1 0 0 0 0 5 57 1 6 0 0 0 12 27 1 6 0 0 0 43 58 2 0 0 0 0 10 11 1 0 0 0 0 58 59 1 0 0 0 0 26 28 1 0 0 0 0 59 60 2 0 0 0 0 11 12 1 0 0 0 0 60 61 1 0 0 0 0 29 28 1 1 0 0 0 61 62 2 0 0 0 0 62 43 1 0 0 0 0 M END > CHEBI:66293 > rediocide C > A diterpenoid of the class of daphnane-type terpenes. It is isolated from Trigonostemon thyrsoideum and has been shown to exhibit acaricidal activity. > 3 > CHEBI:67788 > C46H54O13 > 814.91320 > 814.35644 > 0 > [H][C@@]12CC[C@H](C[C@@](C)(O)[C@]3(O)[C@H]4O[C@]5(O[C@@H]3[C@]3([H])[C@@H]6O[C@]6(CO)[C@@H](O)[C@]6(O)[C@@H](OC(=O)\C=C\C=C/[C@H]1OC(=O)c1ccccc1)[C@@H](C)C[C@@]6([H])[C@@]3(O5)[C@@H]4C)c1ccccc1)[C@@H]2C > InChI=1S/C46H54O13/c1-24-21-32-43(52)35(24)55-33(48)18-12-11-17-31(54-39(49)27-13-7-5-8-14-27)30-20-19-28(25(30)2)22-41(4,51)45(53)36-26(3)44(32)34(37-42(23-47,56-37)40(43)50)38(45)58-46(57-36,59-44)29-15-9-6-10-16-29/h5-18,24-26,28,30-32,34-38,40,47,50-53H,19-23H2,1-4H3/b17-11-,18-12+/t24-,25-,26+,28+,30-,31+,32+,34-,35-,36-,37-,38+,40+,41+,42-,43+,44-,45-,46-/m0/s1 > ZDIWBBJUVBDSOV-JTMXNZPZSA-N > 9983633 > 15684528; 16204992; 21192108 $$$$