HMDB0038463 RDKit 3D 3-(Isothiocyanatomethyl)-1-methoxy-1H-indole 25 26 0 0 0 0 0 0 0 0999 V2000 -2.7680 -2.5340 0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 -1.2993 0.6276 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2151 -0.6719 0.3936 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0077 -1.2372 0.3498 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9605 -0.2885 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4180 -0.4485 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 -1.8127 0.1303 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0545 -2.0867 -0.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6503 -2.3433 -0.3395 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 0.9118 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7247 2.2001 -0.2849 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 3.2614 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5008 3.0055 -0.1693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9574 1.7234 0.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0639 0.6619 0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2560 -2.7701 -0.8759 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5095 -3.3632 0.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8668 -2.6246 -0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2299 -2.2866 0.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9916 0.2070 0.6234 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 -0.1583 -1.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7874 2.3421 -0.4253 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2450 4.2355 -0.5609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 3.8262 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0253 1.5499 0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 2 0 5 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 3 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 6 20 1 0 6 21 1 0 11 22 1 0 12 23 1 0 13 24 1 0 14 25 1 0 M END