HMDB0006275 RDKit 3D Dopamine 3-O-sulfate 26 26 0 0 0 0 0 0 0 0999 V2000 -4.2780 -0.4169 1.2392 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0099 0.0992 0.8391 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2315 -0.8139 -0.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9466 -0.1243 -0.3857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8147 0.7215 -1.4789 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 1.3526 -1.7605 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4766 1.1609 -0.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6784 1.8169 -1.2706 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3758 0.3303 0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4760 0.1255 0.9454 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6046 -1.1191 0.6806 S 0 0 0 0 0 6 0 0 0 0 0 0 2.9502 -2.3800 0.1954 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 -1.4449 2.0034 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8202 -0.6517 -0.3677 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1845 -0.2919 0.3964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3951 -1.4315 1.1731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0782 0.1633 0.9770 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1819 1.0671 0.3151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3952 0.2893 1.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 -1.7641 0.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8250 -0.9860 -1.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6887 0.8649 -2.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4319 2.0017 -2.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6946 2.4154 -2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4447 -0.0177 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0770 -0.9664 1.2671 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 2 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 15 2 0 15 4 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 5 22 1 0 6 23 1 0 8 24 1 0 14 25 1 0 15 26 1 0 M END