CDK 2/12/10,15:28 28 32 0 0 0 0 0 0 0 0999 V2000 6.6202 -2.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5951 -3.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9151 -3.8468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3001 -2.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -2.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3001 -1.4041 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2100 -3.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 -2.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -2.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8900 -1.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3253 -3.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 -3.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0305 -0.9760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -2.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -2.2099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7357 -3.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 -3.8468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7609 -1.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7357 -3.7964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 -2.6129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7747 -3.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3253 -4.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5699 -5.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0557 -5.1562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0808 -4.2748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 -3.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0192 -4.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0557 -6.0124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 0 0 0 0 4 1 1 0 0 0 0 5 1 1 0 0 0 0 1 9 1 1 0 0 0 2 3 1 6 0 0 0 11 2 1 0 0 0 0 7 3 1 0 0 0 0 4 6 1 1 0 0 0 8 4 1 0 0 0 0 7 5 2 0 0 0 0 15 5 1 0 0 0 0 13 6 1 0 0 0 0 10 6 1 0 0 0 0 17 7 1 0 0 0 0 12 8 1 0 0 0 0 14 8 1 0 0 0 0 8 16 1 6 0 0 0 10 9 1 0 0 0 0 12 11 1 0 0 0 0 11 22 1 6 0 0 0 11 25 1 1 0 0 0 18 13 1 0 0 0 0 18 14 2 0 0 0 0 20 15 2 0 0 0 0 19 16 1 0 0 0 0 21 17 2 0 0 0 0 21 20 1 0 0 0 0 26 21 1 0 0 0 0 23 22 2 0 0 0 0 24 22 1 0 0 0 0 28 24 1 0 0 0 0 27 26 1 0 0 0 0 M CHG 1 6 1 M END > CHEBI:58485 > 3-hydroxy-16-methoxy-2,3-dihydrotabersoninium > An indole alkaloid cation that is the conjugate acid of 3-hydroxy-16-methoxy-2,3-dihydrotabersonine, obtained by protonation of the tertiary amino function; major species at pH 7.3. > 3 > (3R)-3-hydroxy-16-methoxy-2,3-dihydrotabersonine > methyl 3beta-hydroxy-16-methoxy-6,7-didehydro-2beta,5alpha,12beta,19alpha-aspidospermidin-9-inium-3alpha-carboxylate > C22H29N2O4 > 385.47670 > 385.21218 > 1 > CC[C@@]12C[C@@](O)([C@@H]3Nc4cc(OC)ccc4[C@@]33CC[NH+](CC=C1)[C@@H]23)C(=O)OC > InChI=1S/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3/p+1/t17-,18+,20+,21+,22-/m1/s1 > MLIQIRKAHMVCDD-MMGCJVFTSA-O $$$$