71694440 CDK 1019211304 39 42 0 0 0 0 0 0 0 0999 V2000 5.2803 -1.2472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5007 -0.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1006 1.2840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6890 3.0204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0943 -2.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0097 3.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8795 1.3092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7003 0.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9583 -0.7772 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6646 -0.2877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7357 -1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5872 0.5682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1841 -0.4044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8438 0.9261 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1265 0.4530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5578 -1.0765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3835 -1.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6603 1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3305 0.9261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1747 2.3754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3032 0.4009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5140 1.7304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9997 2.3754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8932 2.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3483 -2.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7211 3.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9307 2.8398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7587 -0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3183 1.9140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6702 -2.5394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2858 3.3542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0753 -0.9678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7383 -3.3616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9242 -2.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1338 -1.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0602 -3.8316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -0.6069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6500 -1.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1972 0.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 1 1 1 0 0 0 1 25 1 0 0 0 0 13 2 1 6 0 0 0 2 28 1 0 0 0 0 14 3 1 1 0 0 0 20 4 1 6 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 29 1 0 0 0 0 8 28 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 12 39 1 6 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 15 21 1 1 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 19 22 2 0 0 0 0 20 23 1 0 0 0 0 20 26 1 0 0 0 0 22 23 1 0 0 0 0 22 29 1 0 0 0 0 24 27 2 0 0 0 0 25 30 1 0 0 0 0 26 27 1 0 0 0 0 27 31 1 0 0 0 0 28 32 1 0 0 0 0 30 33 1 0 0 0 0 30 34 1 0 0 0 0 32 35 1 0 0 0 0 32 37 2 0 0 0 0 33 36 1 0 0 0 0 37 38 1 0 0 0 0 M END > CHEBI:182074 > [(1S,6R,10S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate > 2 > [(1S,6R,10S,13S,14R,15R)-1,6-dihydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-14-[(E)-2-methylbut-2-enoyl]oxy-5-oxo-13-tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dienyl] 2-methylbutanoate > C30H42O8 > 530.658 > 530.28797 > 0 > O([C@@]12C(C1(C)C)[C@]3([C@](O)([C@@H]([C@H]2OC(=O)/C(/C)=C/C)C)C4[C@](O)(CC(=C3)CO)C(=O)C(=C4)C)[H])C(=O)C(CC)C > InChI=1S/C30H42O8/c1-9-15(3)25(33)37-24-18(6)29(36)20(22-27(7,8)30(22,24)38-26(34)16(4)10-2)12-19(14-31)13-28(35)21(29)11-17(5)23(28)32/h9,11-12,16,18,20-22,24,31,35-36H,10,13-14H2,1-8H3/b15-9+/t16?,18-,20+,21?,22?,24-,28-,29-,30-/m1/s1 > AKFIXMYXISUTAF-CKNBLZQJSA-N $$$$