CDK 7/27/12,16:43 44 49 0 0 0 0 0 0 0 0999 V2000 7.0882 -6.4488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 -7.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5051 -7.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5360 -8.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -7.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8284 -7.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5417 -6.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2545 -7.1710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 -7.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 -8.4091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6846 -7.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2478 -6.3472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2726 -8.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9676 -9.2368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6843 -9.6499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6843 -10.4739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9650 -10.8888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9642 -11.7114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6820 -12.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4022 -11.7104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3976 -10.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5370 -9.2353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9645 -6.7572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4028 -8.4088 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4055 -9.2365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9654 -5.9336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6304 -5.4422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2920 -5.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -4.6582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3743 -4.6555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6244 -3.8659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9494 -3.3876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2866 -3.8767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4066 -3.6117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9615 -7.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1130 -7.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8278 -8.4124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 -7.1782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8234 -9.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5325 -9.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2484 -9.2314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2442 -8.4036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5340 -7.9967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9595 -5.1158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 23 1 0 0 0 0 20 21 2 0 0 0 0 21 16 1 0 0 0 0 9 10 1 0 0 0 0 4 22 1 0 0 0 0 23 2 1 0 0 0 0 10 11 1 0 0 0 0 11 2 1 0 0 0 0 11 24 1 1 0 0 0 5 7 1 0 0 0 0 8 12 1 1 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 6 4 2 0 0 0 0 9 13 1 6 0 0 0 27 30 1 0 0 0 0 29 28 1 0 0 0 0 28 26 1 0 0 0 0 29 30 2 0 0 0 0 4 9 1 0 0 0 0 10 14 1 6 0 0 0 8 7 1 0 0 0 0 14 15 1 0 0 0 0 8 9 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 29 1 0 0 0 0 15 16 1 0 0 0 0 31 34 2 0 0 0 0 15 25 2 0 0 0 0 23 35 1 6 0 0 0 24 36 1 0 0 0 0 5 6 1 0 0 0 0 36 37 1 0 0 0 0 16 17 2 0 0 0 0 36 38 2 0 0 0 0 2 1 1 1 0 0 0 37 39 2 0 0 0 0 17 18 1 0 0 0 0 39 40 1 0 0 0 0 3 2 1 0 0 0 0 40 41 2 0 0 0 0 18 19 2 0 0 0 0 41 42 1 0 0 0 0 19 20 1 0 0 0 0 42 43 2 0 0 0 0 43 37 1 0 0 0 0 26 44 1 6 0 0 0 M END > CHEBI:66490 > 7-O-Nicotinoyl scutebarbatine H, (rel) > A natural product found in Scutellaria barbata. > 2 > C32H34N2O8 > 574.62100 > 574.23152 > 0 > [H][C@@]1(CC2=C(O1)C(=O)OC2)[C@]1(C)[C@@]2([H])CCC=C(C)[C@]2(C)[C@@H](OC(=O)c2cccnc2)[C@H](OC(=O)c2cccnc2)[C@]1(C)O > InChI=1S/C32H34N2O8/c1-18-8-5-11-22-30(18,2)25(41-27(35)19-9-6-12-33-15-19)26(42-28(36)20-10-7-13-34-16-20)32(4,38)31(22,3)23-14-21-17-39-29(37)24(21)40-23/h6-10,12-13,15-16,22-23,25-26,38H,5,11,14,17H2,1-4H3/t22-,23+,25-,26-,30-,31-,32-/m0/s1 > SWHUWIGLVRXJBW-IVZGSMFXSA-N > 17666848 $$$$