44301524 CDK 0923212322 31 34 0 0 0 0 0 0 0 0999 V2000 3.8774 2.1415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 2.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2356 -2.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8987 -0.9548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1774 -1.8274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7462 1.0139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7225 0.0920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1941 0.4008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8612 0.0330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2862 -0.6056 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4470 -0.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5894 0.8481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1323 1.3569 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3872 0.5723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4913 1.7984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6843 1.9700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6687 -0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3122 1.3547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -1.3911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0594 0.5746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2184 0.4798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9837 -2.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 1.8260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6499 1.0133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4678 3.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6812 -3.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 -1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7209 -0.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 2 22 1 0 0 0 0 2 28 1 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 25 1 0 0 0 0 4 30 1 0 0 0 0 5 24 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 7 14 2 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 8 31 1 6 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 1 0 0 0 10 11 1 0 0 0 0 10 19 1 1 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 18 1 0 0 0 0 15 16 1 0 0 0 0 17 21 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 24 1 0 0 0 0 19 25 2 0 0 0 0 20 23 1 0 0 0 0 22 26 2 0 0 0 0 23 27 2 0 0 0 0 26 27 1 0 0 0 0 M END > CHEBI:180536 > 7-Hydroxymitragynine > 2 > methyl (E)-2-[(2S,3S,7aS,12bS)-3-ethyl-7a-hydroxy-8-methoxy-2,3,4,6,7,12b-hexahydro-1H-indolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate > C23H30N2O5 > 414.502 > 414.21547 > 0 > O[C@]12C(=NC3=C1C(OC)=CC=C3)[C@]4(N(C[C@H]([C@H](C4)/C(/C(OC)=O)=C\OC)CC)CC2)[H] > InChI=1S/C23H30N2O5/c1-5-14-12-25-10-9-23(27)20-17(7-6-8-19(20)29-3)24-21(23)18(25)11-15(14)16(13-28-2)22(26)30-4/h6-8,13-15,18,27H,5,9-12H2,1-4H3/b16-13+/t14-,15+,18+,23+/m1/s1 > RYENLSMHLCNXJT-CYXFISRXSA-N > 174418-82-7 > 174418-82-7 $$$$