CDK 2/12/10,15:26 21 23 0 0 0 0 0 0 0 0999 V2000 8.8186 -15.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5355 -15.5060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8152 -16.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1052 -15.5025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5390 -14.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2490 -15.9244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1052 -17.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5287 -17.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -15.9175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2559 -14.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2456 -16.7476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3917 -16.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6782 -15.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2559 -13.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9728 -14.6861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6782 -17.1524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9728 -13.0362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6863 -14.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9682 -16.7442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6863 -13.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3963 -13.0362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 5 1 6 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 20 21 1 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 18 20 1 0 0 0 0 M CHG 1 6 1 M END > CHEBI:57581 > (S)-coclaurinium > Conjugate acid of (S)-coclaurine arising from protonation of the isoquinoline nitrogen. > 3 > (S)-coclaurinium cation; (S)-coclaurine > (1S)-7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium > C17H20NO3 > 286.34560 > 286.14377 > 1 > COc1cc2CC[NH2+][C@@H](Cc3ccc(O)cc3)c2cc1O > InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/p+1/t15-/m0/s1 > LVVKXRQZSRUVPY-HNNXBMFYSA-O $$$$