Marvin 11281211462D 34 36 0 0 0 0 999 V2000 -3.1569 -0.1155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1585 -0.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4698 -1.3093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 -0.9072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7829 -0.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0712 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 -0.1060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 1.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3615 0.3066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0780 -0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3609 1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0727 1.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 1.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3533 1.9586 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.0828 -0.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7688 -1.2856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7675 -2.3084 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0108 -0.5366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5166 -2.5748 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.4701 -2.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0943 -2.7848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3440 -2.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2765 -2.9929 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0007 -2.5993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7026 -3.0290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6832 -3.8549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 -4.2484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2450 -3.8160 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5337 -3.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3049 -2.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4827 -4.2044 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.5078 -1.7526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8735 -1.3237 0.0000 O 0 0 0 0 0 0 0 0 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 2 0 0 0 0 6 1 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 6 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 11 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 6 0 0 0 18 20 1 6 0 0 0 2 34 1 0 0 0 0 3 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 24 23 1 0 0 0 0 24 25 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 24 31 1 1 0 0 0 29 32 1 1 0 0 0 25 21 1 0 0 0 0 1 2 2 0 0 0 0 M END > CHEBI:65525 > bromophycolide A > A diterpenoid that is a macrolide isolated from the Fijian red alga Callophycus serratus. It has been found to exhibit moderate cytotoxicity against several human tumour cell lines via specific apotopic cell death. It also displays anti-HIV, antibacterial, antifungal and antimalarial activity. > 3 > (9S,12S,13R,15aS,16S)-13,16-dibromo-9-(2-bromopropan-2-yl)-3,12-dihydroxy-12,15a,19-trimethyl-1,9,10,11,12,13,14,15,15a,16,17,18-dodecahydro-7H-6,2-(metheno)-8-benzoxacycloheptadecin-7-one > C27H37Br3O4 > 665.29200 > 662.02420 > 0 > CC1=C2Cc3cc(ccc3O)C(=O)O[C@@H](CC[C@](C)(O)[C@H](Br)CC[C@]2(C)[C@@H](Br)CC1)C(C)(C)Br > InChI=1S/C27H37Br3O4/c1-16-6-9-21(28)26(4)12-10-22(29)27(5,33)13-11-23(25(2,3)30)34-24(32)17-7-8-20(31)18(14-17)15-19(16)26/h7-8,14,21-23,31,33H,6,9-13,15H2,1-5H3/t21-,22+,23-,26-,27-/m0/s1 > SKIHYPQTROYIIT-VHXXJFIISA-N > 10220528 > 16268553; 21309525; 22214291 $$$$