CDK 1030232201 25 27 0 0 0 0 0 0 0 0999 V2000 2.1434 -1.6500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.2375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4289 0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0000 -2.8875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4401 -0.5709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -1.6500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4183 -0.5382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0520 -0.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.7125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.4750 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4289 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -2.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 0.8250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4289 1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1041 -0.2345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 4 2 1 0 0 0 0 3 5 2 0 0 0 0 6 3 1 0 0 0 0 4 7 1 1 0 0 0 8 4 1 0 0 0 0 9 5 1 0 0 0 0 6 10 1 6 0 0 0 11 6 1 0 0 0 0 6 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 1 0 0 0 9 15 1 1 0 0 0 16 9 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 6 0 0 0 13 19 1 0 0 0 0 16 20 1 6 0 0 0 17 21 1 0 0 0 0 22 19 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 6 0 0 0 23 25 2 0 0 0 0 7 8 1 0 0 0 0 11 16 1 0 0 0 0 22 23 1 0 0 0 0 M END > CHEBI:215606 > Phomactin M > 2 > (3R,5S,8R,12R,13R,14R,16S)-8,14,16-trihydroxy-5,12,13,16-tetramethyl-9-methylidene-4-oxatricyclo[10.3.1.03,5]hexadec-1(15)-en-2-one > C20H30O5 > 350.455 > 350.20932 > 0 > O=C1C2=C[C@@H](O)[C@H](C)[C@]([C@@]2(O)C)(CCC(=C)[C@@H](CC[C@]3([C@H]1O3)C)O)C > InChI=1S/C20H30O5/c1-11-6-8-18(3)12(2)15(22)10-13(20(18,5)24)16(23)17-19(4,25-17)9-7-14(11)21/h10,12,14-15,17,21-22,24H,1,6-9H2,2-5H3/t12-,14+,15+,17-,18+,19-,20+/m0/s1 > PHIPURFHHJFSRS-GWZHANHUSA-N $$$$