CDK 7/27/12,16:43 34 39 0 0 0 0 0 0 0 0999 V2000 0.3777 -8.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 -7.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3269 -7.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3818 -6.7054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0950 -7.1244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0962 -7.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8038 -8.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5244 -7.9467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8015 -6.7063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5229 -7.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2360 -6.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2439 -5.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5270 -5.4740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8024 -5.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0868 -6.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0915 -8.7685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3754 -9.1829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2072 -8.9389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8037 -9.1840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2359 -8.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9631 -5.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8007 -7.5297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 -6.7122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7589 -7.1245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4763 -6.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7563 -7.9534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0641 -7.7004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -4.6450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9895 -5.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4283 -5.6415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7673 -7.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0263 -6.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -6.0790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5489 -4.3135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6 16 1 1 0 0 0 6 7 1 0 0 0 0 1 17 1 1 0 0 0 7 8 1 0 0 0 0 1 18 1 0 0 0 0 8 10 1 0 0 0 0 7 19 2 0 0 0 0 9 10 1 0 0 0 0 8 20 2 0 0 0 0 1 6 1 0 0 0 0 12 21 2 0 0 0 0 5 4 1 1 0 0 0 9 22 1 1 0 0 0 5 6 1 0 0 0 0 2 23 1 6 0 0 0 2 3 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 2 4 1 0 0 0 0 24 26 2 0 0 0 0 9 14 1 0 0 0 0 18 27 1 0 0 0 0 15 27 1 0 0 0 0 10 11 1 1 0 0 0 13 28 1 1 0 0 0 11 12 1 0 0 0 0 13 29 1 6 0 0 0 12 13 1 0 0 0 0 15 30 1 1 0 0 0 13 14 1 0 0 0 0 27 31 1 0 0 0 0 3 1 1 0 0 0 0 10 32 1 0 0 0 0 32 29 1 0 0 0 0 32 15 1 0 0 0 0 5 15 1 0 0 0 0 32 33 1 6 0 0 0 5 9 1 0 0 0 0 29 34 2 0 0 0 0 M END > CHEBI:66358 > Vilmorrianone > A natural product found in Aconitum vilmorinianum and Delphinium denudatum. > 2 > C23H27NO5 > 397.46420 > 397.18892 > 0 > [H][C@]12C[C@]3([H])[C@@]4(CC1=C)C(=O)C(=O)[C@]1([H])[C@@]5(C)C[C@@H](C[C@@]31[C@]([H])(N(C)C5)[C@@]4([H])C2=O)OC(C)=O > InChI=1S/C23H27NO5/c1-10-6-22-14-5-13(10)16(26)15(22)19-23(14)8-12(29-11(2)25)7-21(3,9-24(19)4)18(23)17(27)20(22)28/h12-15,18-19H,1,5-9H2,2-4H3/t12-,13-,14+,15+,18+,19+,21-,22+,23+/m0/s1 > MCKIOPXSFPCTTR-NGELOBKFSA-N > 17226159; 9170290 $$$$