CDK 1030232201 32 34 0 0 0 0 0 0 0 0999 V2000 4.8012 1.7457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4656 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6587 0.8205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 0.2775 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0455 1.3726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3261 -0.3355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6415 0.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 1.0582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0947 -1.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3621 0.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2299 -1.9413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1856 0.1393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9505 -2.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6605 -0.5353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5874 0.8598 0.0000 C 0 0 0 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 5.5768 -3.0944 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4770 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4291 -1.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1558 -2.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9568 -3.8266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5643 -2.1411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 -2.8757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7707 -3.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 -3.2307 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 1 0 0 0 0 3 6 2 0 0 0 0 7 4 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 6 0 0 0 10 6 1 0 0 0 0 7 11 1 6 0 0 0 8 12 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 6 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 13 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 22 18 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 6 0 0 0 22 28 1 0 0 0 0 24 29 2 0 0 0 0 30 27 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 1 0 0 0 6 7 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 M END > CHEBI:214955 > Fusaprolifin A > 2 > [(2S)-2-[(1R,2E,5R,9S,11E,14E,16S)-7-hydroxy-2,9,12,16-tetramethyl-8-oxo-19-oxatricyclo[14.2.1.05,9]nonadeca-2,6,11,14-tetraen-6-yl]propyl] acetate > C27H38O5 > 442.596 > 442.27192 > 0 > O=C1C(O)=C([C@@H](COC(=O)C)C)[C@@H]2[C@@]1(CC=C(CC=C[C@]3(O[C@@H](C(=CC2)C)CC3)C)C)C > InChI=1S/C27H38O5/c1-17-8-7-13-26(5)14-12-22(32-26)18(2)9-10-21-23(19(3)16-31-20(4)28)24(29)25(30)27(21,6)15-11-17/h7,9,11,13,19,21-22,29H,8,10,12,14-16H2,1-6H3/b13-7+,17-11+,18-9+/t19-,21-,22-,26-,27+/m1/s1 > ZEIXQVUXYJFZIW-NMLHJAMPSA-N $$$$