CDK 1018121544 34 37 0 0 0 0 0 0 0 0999 V2000 14.5375 -0.4958 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.3250 0.5792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0250 -1.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3208 -0.2417 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4542 -0.6583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7417 -0.2458 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0333 0.9917 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.5417 -1.8458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7417 0.5750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7458 -0.7625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0250 -0.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7500 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4500 -1.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0542 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5375 0.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0333 1.8167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1708 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8500 -1.1625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1625 -1.9000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3208 2.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6042 1.8208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7333 -1.8958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4583 0.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0292 -0.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0292 -2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3208 3.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7292 -2.7208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4625 1.8125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -0.7667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3167 -1.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0292 0.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7375 -1.0708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1755 0.5750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8924 0.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 1 0 0 0 4 1 1 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 7 2 1 0 0 0 0 8 3 1 0 0 0 0 9 7 1 0 0 0 0 10 1 1 0 0 0 0 11 4 1 0 0 0 0 12 10 1 0 0 0 0 13 5 1 0 0 0 0 14 1 1 0 0 0 0 15 14 1 0 0 0 0 7 16 1 1 0 0 0 17 5 2 0 0 0 0 18 3 2 0 0 0 0 19 13 2 0 0 0 0 20 16 1 0 0 0 0 21 20 2 0 0 0 0 22 13 1 0 0 0 0 9 23 1 6 0 0 0 24 10 2 0 0 0 0 25 12 2 0 0 0 0 26 20 1 0 0 0 0 27 22 1 0 0 0 0 28 23 1 0 0 0 0 29 24 1 0 0 0 0 30 29 2 0 0 0 0 4 31 1 6 0 0 0 6 32 1 6 0 0 0 8 12 1 0 0 0 0 15 2 1 0 0 0 0 25 30 1 0 0 0 0 9 6 1 0 0 0 0 17 33 1 0 0 0 0 2 4 1 0 0 0 0 33 34 1 0 0 0 0 M END > CHEBI:70067 > Macrophylline A > A natural product found in Uncaria macrophylla. > 2 > methyl(Z)-2-[(3R,5'S,6'R,7'S,8'aS)-6'-ethyl-2-oxo-5'-(2-oxopropyl)spiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate > C25H32N2O5 > 440.53200 > 440.23112 > 0 > [H][C@@]1(C[C@]2([H])N(CC[C@]22C(=O)Nc3ccccc23)[C@@H](CC(C)=O)[C@@H]1CC)C(=C/OC)\C(=O)OC > InChI=1S/C25H32N2O5/c1-5-16-17(18(14-31-3)23(29)32-4)13-22-25(10-11-27(22)21(16)12-15(2)28)19-8-6-7-9-20(19)26-24(25)30/h6-9,14,16-17,21-22H,5,10-13H2,1-4H3,(H,26,30)/b18-14+/t16-,17+,21+,22+,25-/m1/s1 > VWNYHBABHBBFQC-QFEVCRBPSA-N > 21070010 $$$$