CDK 1030232201 24 26 0 0 0 0 0 0 0 0999 V2000 1.4290 0.4125 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -0.4125 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7145 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4290 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 0.8250 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -0.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1435 -2.4751 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.2375 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5724 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7537 -0.0770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0862 -1.2330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3058 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0087 0.7077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8932 -1.4045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2870 -1.2375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1127 -0.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8156 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3676 0.2662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 2 0 0 0 0 12 7 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 12 16 1 6 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 16 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 22 24 2 0 0 0 0 9 12 1 0 0 0 0 18 20 1 0 0 0 0 23 24 1 0 0 0 0 M END > CHEBI:210591 > (+)-acrozine A > 2 > (3S,6R)-6-(hydroxymethyl)-3-(1H-indol-3-ylmethyl)-1-methoxy-3-methylsulanylpiperazine-2,5-dione > C16H19N3O4S > 349.410 > 349.10963 > 0 > S([C@@]1(NC(=O)[C@@H](CO)N(C1=O)OC)CC=2C3=C(C=CC=C3)NC2)C > InChI=1S/C16H19N3O4S/c1-23-19-13(9-20)14(21)18-16(24-2,15(19)22)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8,13,17,20H,7,9H2,1-2H3,(H,18,21)/t13-,16+/m1/s1 > URSNEXGMZBGKLE-CJNGLKHVSA-N $$$$