Marvin 09261313142D 31 33 0 0 0 0 999 V2000 9.0051 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0051 -5.7650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0051 -6.5900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7195 -7.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4340 -6.5900 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4340 -7.4150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2186 -6.8449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7034 -6.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5285 -6.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2186 -5.5102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4340 -5.7650 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4340 -4.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7195 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2907 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5761 -5.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8616 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1472 -5.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4327 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7183 -5.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0038 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2893 -5.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5749 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -5.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1459 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -5.7650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -5.3525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9932 -5.7643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7095 -5.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7095 -4.5277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9950 -4.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2830 -4.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 6 0 0 0 5 7 1 0 0 0 0 8 7 1 0 0 0 0 8 9 2 0 0 0 0 10 8 1 0 0 0 0 11 10 1 0 0 0 0 5 11 1 0 0 0 0 11 12 1 6 0 0 0 11 13 1 0 0 0 0 13 2 1 0 0 0 0 14 2 1 0 0 0 0 15 14 1 0 0 0 0 16 15 1 0 0 0 0 17 16 1 0 0 0 0 18 17 1 0 0 0 0 19 18 1 0 0 0 0 20 19 1 0 0 0 0 21 20 1 0 0 0 0 22 21 1 0 0 0 0 23 22 2 0 0 0 0 24 23 1 0 0 0 0 25 24 2 0 0 0 0 26 25 1 0 0 0 0 27 26 1 0 0 0 0 28 27 2 0 0 0 0 29 28 1 0 0 0 0 30 29 2 0 0 0 0 31 30 1 0 0 0 0 26 31 2 0 0 0 0 M END > CHEBI:68412 > plakortolide O > An organic heterobicyclic compound that is a cyclic peroxy compound isolated from the Australian marine sponge Plakinastrella clathrata. > 3 > (3S,4aR,7aR)-3,4a-dimethyl-3-[(9E,11E)-12-phenyldodeca-9,11-dien-1-yl]tetrahydrofuro[3,2-c][1,2]dioxin-6(3H)-one > C26H36O4 > 412.56160 > 412.26136 > 0 > [H][C@@]12CC(=O)O[C@]1(C)C[C@](C)(CCCCCCCC\C=C\C=C\c1ccccc1)OO2 > InChI=1S/C26H36O4/c1-25(21-26(2)23(29-30-25)20-24(27)28-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25+,26-/m1/s1 > KEKDEOVVWKTZKA-XRXSLGMHSA-N > 21309199 > 21261297 $$$$