Ketcher 12111812282D 1 1.00000 0.00000 0 30 33 0 1 0 999 V2000 8.3519 -37.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0692 -38.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7315 -36.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4516 -37.7908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1198 -38.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6875 -36.6322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5807 -38.4867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2349 -37.7638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9384 -36.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9871 -36.6302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4766 -35.7787 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5423 -35.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4359 -36.9510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5414 -35.4429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4238 -36.4493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6285 -38.2849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3270 -37.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9259 -38.8062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3591 -36.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0671 -36.8429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1179 -38.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3065 -39.1414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3766 -39.4425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 -39.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1029 -40.0955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2348 -38.8407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9592 -39.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2444 -40.6989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3148 -41.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9702 -41.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12 13 1 0 0 0 17 13 1 0 0 0 11 14 2 0 0 0 1 2 2 0 0 0 8 15 1 0 0 0 14 15 1 0 0 0 3 4 1 0 0 0 16 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 4 5 2 0 0 0 5 2 1 0 0 0 16 17 2 0 0 0 17 1 1 0 0 0 2 18 1 0 0 0 18 16 1 0 0 0 1 6 1 0 0 0 6 3 2 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 15 19 1 0 0 0 19 20 1 0 0 0 8 21 1 6 0 0 22 7 1 0 0 0 7 23 1 1 0 0 23 24 1 0 0 0 22 25 2 0 0 0 22 26 1 0 0 0 26 27 1 0 0 0 24 28 1 0 0 0 28 29 1 0 0 0 28 30 2 0 0 0 M CHG 1 11 1 M END > CHEBI:142770 > dihydroprecondylocarpine acetate > An organic cation which is an intermediate in the biosynthetic pathway leading to the synthesis of the monoterpenoid indole alkaloids, catharanthine and tabersonine. > 3 > dihydroprecondylocarpine acetate > (6S,7S)-7-(acetoxymethyl)-5-ethyl-7-(methoxycarbonyl)-1,2,5,6,7,8-hexahydro-3,6-ethanoazonino[5,4-b]indol-3-ium > C23H29N2O4 > 397.488 > 397.21218 > 1 > C12=C(C=CC=C1)NC=3[C@]([C@@]4(C(C=[N+](CC4)CCC32)CC)[H])(C(=O)OC)COC(C)=O > InChI=1S/C23H29N2O4/c1-4-16-13-25-11-9-18-17-7-5-6-8-20(17)24-21(18)23(22(27)28-3,14-29-15(2)26)19(16)10-12-25/h5-8,13,16,19,24H,4,9-12,14H2,1-3H3/q+1/t16?,19-,23-/m0/s1 > QXQMGTOURBIIKD-RUMUXARQSA-N > CPD-21550 > 29511102; 29724909; 30256480 $$$$