Marvin 04091316442D 31 33 0 0 0 0 999 V2000 14.3218 -17.6597 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.6391 -17.2879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9333 -17.7551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2458 -17.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5464 -17.9292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5618 -18.6508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3324 -18.9947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3297 -19.7438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0792 -20.0886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8718 -19.6674 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3359 -19.4834 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6180 -19.9816 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.8647 -20.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8435 -20.3264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2418 -16.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9574 -17.1003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3264 -18.4042 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3518 -18.6865 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.0349 -20.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7474 -20.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2500 -21.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3374 -21.5204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9838 -20.5091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0735 -19.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8994 -18.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1022 -17.7483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9522 -16.2753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6602 -15.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2390 -15.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8939 -19.2749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8244 -18.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11 18 1 0 0 0 0 1 17 1 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 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 20 1 0 0 0 0 19 11 1 0 0 0 0 8 14 1 0 0 0 0 4 15 1 0 0 0 0 1 16 1 1 0 0 0 18 17 1 0 0 0 0 20 19 1 0 0 0 0 20 21 2 0 0 0 0 13 22 2 0 0 0 0 12 23 1 1 0 0 0 11 24 1 6 0 0 0 18 25 1 6 0 0 0 17 26 1 0 0 0 0 18 26 1 0 0 0 0 16 27 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 10 30 1 1 0 0 0 17 31 1 1 0 0 0 M END > CHEBI:66379 > michaolide F > A cembrane diterpenoid with cytotoxic activity isolated from the soft coral Lobophytum michaelae. > 3 > (1aS,1bS,4aR,5R,7E,11E,14R,14aS)-5-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-14-yl acetate > C22H30O6 > 390.47000 > 390.20424 > 0 > [H][C@]12OC(=O)C(=C)[C@]1([H])[C@H](O)C\C(C)=C\CC\C(C)=C\C[C@@H](OC(C)=O)[C@]1(C)O[C@@]21[H] > InChI=1S/C22H30O6/c1-12-7-6-8-13(2)11-16(24)18-14(3)21(25)27-19(18)20-22(5,28-20)17(10-9-12)26-15(4)23/h8-9,16-20,24H,3,6-7,10-11H2,1-2,4-5H3/b12-9+,13-8+/t16-,17-,18-,19+,20+,22+/m1/s1 > DNLZLOKORIRWAI-HSRCVKCWSA-N > 11101590 > 17473465 $$$$