Marvin 04091315502D 35 37 0 0 0 0 999 V2000 22.4935 -9.0761 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8247 -8.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1332 -9.1696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4597 -8.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7745 -9.3402 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7895 -10.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5445 -10.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5419 -11.1179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2761 -11.4557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0526 -11.0431 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.4870 -10.8628 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7837 -11.3509 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.0254 -12.1719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0655 -11.6887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0490 -9.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4557 -7.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1162 -8.5281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4980 -9.8055 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5026 -10.0821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1718 -11.3858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8902 -12.1927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3826 -12.8964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.5088 -12.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1624 -11.8677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2096 -10.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0391 -9.7458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.2581 -9.1629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0946 -10.6585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0062 -10.3539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0417 -8.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7524 -7.7853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3236 -7.7980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1208 -9.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7207 -9.2813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4348 -9.5310 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 12 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 21 1 0 0 0 0 20 11 1 0 0 0 0 8 14 1 0 0 0 0 5 15 1 6 0 0 0 4 16 1 0 0 0 0 1 17 1 1 0 0 0 19 18 1 0 0 0 0 21 20 1 0 0 0 0 21 22 2 0 0 0 0 13 23 2 0 0 0 0 12 24 1 1 0 0 0 11 25 1 6 0 0 0 19 26 1 6 0 0 0 18 27 1 0 0 0 0 19 27 1 0 0 0 0 10 28 1 1 0 0 0 18 29 1 1 0 0 0 15 30 1 0 0 0 0 11 19 1 0 0 0 0 30 31 2 0 0 0 0 1 18 1 0 0 0 0 30 32 1 0 0 0 0 1 2 1 0 0 0 0 28 33 1 0 0 0 0 2 3 1 0 0 0 0 33 34 1 0 0 0 0 3 4 2 0 0 0 0 33 35 2 0 0 0 0 M END > CHEBI:66376 > michaolide C > A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. > 3 > (1aS,1bS,4aR,5R,7E,10S,11E,14R,14aS)-14-hydroxy-7,11,14a-trimethyl-4-methylidene-3-oxo-1a,1b,3,4,4a,5,6,9,10,13,14,14a-dodecahydrooxireno[13,14]cyclotetradeca[1,2-b]furan-5,10-diyl diacetate > C24H32O8 > 448.50610 > 448.20972 > 0 > [H][C@]12OC(=O)C(=C)[C@]1([H])[C@@H](C\C(C)=C\C[C@H](OC(C)=O)\C(C)=C\C[C@@H](O)[C@]1(C)O[C@@]21[H])OC(C)=O > InChI=1S/C24H32O8/c1-12-7-9-17(29-15(4)25)13(2)8-10-19(27)24(6)22(32-24)21-20(14(3)23(28)31-21)18(11-12)30-16(5)26/h7-8,17-22,27H,3,9-11H2,1-2,4-6H3/b12-7+,13-8+/t17-,18+,19+,20+,21-,22-,24-/m0/s1 > DQOVBYCKEDMWMR-NZVYTFDISA-N > 11101587 > 17473465 $$$$