Ketcher 07012215132D 1 1.00000 0.00000 0 28 32 0 1 0 999 V2000 11.0724 -5.8623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7599 -6.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4209 -7.5504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0475 -5.6594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7132 -6.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4007 -7.3490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3515 -5.8718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3795 -5.6573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6604 -6.8171 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9862 -7.5527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2871 -8.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6357 -7.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9366 -7.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2639 -8.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5617 -9.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5307 -9.8775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2049 -9.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9071 -8.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6025 -7.4131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8487 -10.4220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0109 -7.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7023 -6.4060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2112 -7.9326 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0523 -11.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3140 -12.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8933 -10.1051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2355 -8.2153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5069 -9.3768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 21 10 1 0 0 0 9 7 1 0 0 0 7 8 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 2 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 13 1 0 0 0 8 22 1 0 0 0 18 19 1 6 0 0 2 3 2 0 0 0 15 20 1 0 0 0 3 6 1 0 0 0 5 4 1 0 0 0 4 1 2 0 0 0 21 22 2 0 0 0 22 5 1 0 0 0 6 23 1 0 0 0 23 21 1 0 0 0 9 10 1 0 0 0 20 24 1 0 0 0 10 11 1 0 0 0 24 25 1 0 0 0 11 14 1 0 0 0 20 26 2 0 0 0 13 12 2 0 0 0 10 27 1 6 0 0 12 9 1 0 0 0 14 28 1 6 0 0 5 6 2 0 0 0 M END > CHEBI:3472 > cathenamine > A yohimban alkaloid with formula C21H22N2O3, produced by Catharanthus roseus and Rauvolfia serpentina plant species. > 3 > cathenamine; 20,21-didehydroajmalicine; 16,17,20,21-tetradehydro-19alpha-methyl-18-oxayohimban-16-carboxylic acid methyl ester; (-)-cathenamine > methyl 19alpha-methyl-16,17,20,21-tetradehydro-18-oxayohimban-16-carboxylate > C21H22N2O3 > 350.418 > 350.16304 > 0 > [H][C@@]12C[C@@]3([H])C(=CN1CCC1=C2NC2=C1C=CC=C2)[C@H](C)OC=C3C(=O)OC > InChI=1S/C21H22N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-6,10-12,15,19,22H,7-9H2,1-2H3/t12-,15-,19-/m0/s1 > BXTHVTLKWJZGAA-ODYMNIRHSA-N > 63661-74-5 > C11680 > C00051784 > CPD-21552 > 10652285; 11549013; 11985599; 20432158; 24253886; 30256480; 34854134 $$$$