Ketcher 08302216112D 1 1.00000 0.00000 0 16 17 0 0 0 999 V2000 12.0440 -34.3694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -33.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9122 -32.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9122 -33.8682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1757 -32.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 -32.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4547 -33.3669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8655 -34.1779 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1558 -31.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4655 -30.4407 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.4462 -30.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1752 -31.6026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7947 -29.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0440 -32.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0440 -31.3621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7881 -29.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 6 1 0 0 0 4 1 2 0 0 0 3 4 1 0 0 0 4 8 1 0 0 0 3 14 2 0 0 0 14 5 1 0 0 0 5 2 2 0 0 0 6 7 2 0 0 0 6 12 1 0 0 0 7 8 1 0 0 0 12 9 1 0 0 0 9 10 1 0 0 0 10 13 1 0 0 0 10 11 1 0 0 0 14 15 1 0 0 0 10 16 1 0 0 0 M CHG 1 10 1 M END > CHEBI:193061 > 4-hydroxy-N,N,N-trimethyltryptamine(1+) > Major microspecies at pH 7.3. > 2 > 4-hydroxy-N,N,N-trimethyltryptamine > C13H19N2O > 219.307 > 219.14919 > 1 > C=1C=CC(=C2C(=CNC12)CC[N+](C)(C)C)O > InChI=1S/C13H18N2O/c1-15(2,3)8-7-10-9-14-11-5-4-6-12(16)13(10)11/h4-6,9,14H,7-8H2,1-3H3/p+1 > RMPOMMZKJNCOTM-UHFFFAOYSA-O > 35583969 $$$$