CDK 9/10/12,15:49 47 54 0 0 0 0 0 0 0 0999 V2000 5.4087 -10.1278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8080 -7.8702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -8.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5459 -7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1133 -9.3905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9670 -9.5197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -8.6992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2127 -10.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3550 -8.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 -10.0695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5501 -8.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3248 -7.2079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8295 -7.8744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -7.0497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3290 -8.5367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 -7.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2886 -9.4072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6802 -8.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0179 -8.6283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8336 -6.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -5.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 -6.6706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6327 -7.8619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -10.0820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6968 -10.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -6.2249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1172 -4.9878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4046 -10.9734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1800 -10.7860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5168 -5.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -7.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 -8.3868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5498 -6.4499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0368 -7.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0493 -8.5742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 -4.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8378 -4.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8698 -8.5700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8615 -7.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8378 -3.7590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4050 -3.7632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2822 -7.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1213 -3.3425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5418 -9.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9541 -8.9991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1341 -7.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7792 -9.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 13 1 0 0 0 0 3 7 1 0 0 0 0 4 11 1 0 0 0 0 5 10 1 0 0 0 0 6 1 1 0 0 0 0 7 6 1 0 0 0 0 8 1 1 0 0 0 0 9 5 1 0 0 0 0 10 1 1 0 0 0 0 11 7 1 0 0 0 0 12 4 1 0 0 0 0 3 13 1 6 0 0 0 14 16 1 0 0 0 0 15 11 1 0 0 0 0 16 3 1 0 0 0 0 17 5 1 0 0 0 0 18 9 1 0 0 0 0 19 17 1 0 0 0 0 14 20 1 6 0 0 0 21 20 1 0 0 0 0 4 22 1 1 0 0 0 23 2 1 0 0 0 0 24 17 2 0 0 0 0 5 25 1 1 0 0 0 26 21 2 0 0 0 0 27 21 1 0 0 0 0 1 28 1 1 0 0 0 10 29 1 1 0 0 0 30 22 2 0 0 0 0 16 31 1 6 0 0 0 19 32 1 1 0 0 0 33 22 1 0 0 0 0 34 23 1 0 0 0 0 35 23 2 0 0 0 0 36 27 1 0 0 0 0 37 27 2 0 0 0 0 38 35 1 0 0 0 0 39 34 2 0 0 0 0 40 37 1 0 0 0 0 41 36 2 0 0 0 0 42 39 1 0 0 0 0 43 41 1 0 0 0 0 7 44 1 1 0 0 0 11 45 1 1 0 0 0 9 46 1 6 0 0 0 6 47 1 1 0 0 0 8 6 1 0 0 0 0 9 3 1 0 0 0 0 2 15 1 0 0 0 0 19 18 1 0 0 0 0 14 4 1 0 0 0 0 12 2 1 0 0 0 0 42 38 2 0 0 0 0 43 40 2 0 0 0 0 M END > CHEBI:67786 > trigoxyphin B > A natural product found in Trigonostemon thyrsoideum. > 2 > C34H36O9 > 588.64420 > 588.23593 > 0 > [H][C@@]12O[C@]1(C)[C@@H](O)[C@]1(O)C(=O)[C@@H](C)C[C@@]1([H])[C@]13OC4(O[C@]([H])([C@]21[H])[C@@](O4)([C@@H](OC(=O)c1ccccc1)[C@H]3C)C(C)=C)c1ccccc1 > InChI=1S/C34H36O9/c1-17(2)32-25(39-28(36)20-12-8-6-9-13-20)19(4)33-22-16-18(3)24(35)31(22,38)29(37)30(5)26(40-30)23(33)27(32)41-34(42-32,43-33)21-14-10-7-11-15-21/h6-15,18-19,22-23,25-27,29,37-38H,1,16H2,2-5H3/t18-,19+,22+,23-,25-,26-,27+,29+,30-,31+,32-,33-,34?/m0/s1 > VUPIVOZJYBEXBH-CNRLWDEJSA-N > 21192108 $$$$