Marvin 09261315152D 30 31 0 0 0 0 999 V2000 9.0054 -5.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0054 -5.9707 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0054 -6.7956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7198 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4342 -5.9707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.4342 -5.1456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2188 -5.7157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7035 -6.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5286 -6.3832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2187 -7.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4342 -6.7956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7198 -7.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2910 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5766 -5.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8622 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 -5.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4334 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7191 -5.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0046 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 -5.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5759 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8614 -5.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1470 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4327 -5.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 -5.5581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9919 -5.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 -5.5618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 -4.7334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9937 -4.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2818 -4.7330 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 4 2 1 0 0 0 0 5 4 1 0 0 0 0 5 6 1 1 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 11 10 1 0 0 0 0 11 5 1 0 0 0 0 11 12 1 6 0 0 0 13 2 1 0 0 0 0 14 13 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 2 0 0 0 0 23 22 1 0 0 0 0 24 23 2 0 0 0 0 25 24 1 0 0 0 0 26 25 1 0 0 0 0 27 26 2 0 0 0 0 28 27 1 0 0 0 0 29 28 2 0 0 0 0 30 29 1 0 0 0 0 25 30 2 0 0 0 0 M END > CHEBI:68419 > seco-plakortolide P > A butan-4-olide that is dihydrofuran-2(3H)-one substituted by a hydroxy group at position 4, a 2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl group at position 5 and a methyl group at position 5 (the 4S,5S stereoisomer). It is isolated from the Australian marine sponge Plakinastrella clathrata. > 3 > (4S,5S)-4-hydroxy-5-[(2S,11E,13E)-2-hydroxy-2-methyl-14-phenyltetradeca-11,13-dien-1-yl]-5-methyldihydrofuran-2(3H)-one > C26H38O4 > 414.57750 > 414.27701 > 0 > C[C@](O)(CCCCCCCC\C=C\C=C\c1ccccc1)C[C@]1(C)OC(=O)C[C@@H]1O > InChI=1S/C26H38O4/c1-25(29,21-26(2)23(27)20-24(28)30-26)19-15-10-8-6-4-3-5-7-9-12-16-22-17-13-11-14-18-22/h7,9,11-14,16-18,23,27,29H,3-6,8,10,15,19-21H2,1-2H3/b9-7+,16-12+/t23-,25-,26-/m0/s1 > BBUUFCRHKRIKHW-NZGJWSFPSA-N > 21309204 > 21261297 $$$$