HMDB0240719 RDKit 3D Metanephrine sulfate 33 33 0 0 0 0 0 0 0 0999 V2000 4.6308 -0.4674 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 -0.7030 -0.9585 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4250 -0.8014 -0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 0.5814 -0.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2159 1.5287 -1.2477 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5393 0.6267 0.1245 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0275 1.8532 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3497 1.9300 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1249 0.7955 0.8247 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4529 0.9577 1.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7074 1.1667 0.0721 S 0 0 0 0 0 6 0 0 0 0 0 0 -4.7754 -0.0308 -0.8129 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0052 1.2300 0.8550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5759 2.5943 -0.7813 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5564 -0.4353 0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3399 -1.6029 0.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8029 -2.8781 0.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2261 -0.5093 0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6461 -0.8947 0.1793 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0928 -0.7785 1.1597 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 0.6517 0.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1909 -1.5203 -1.5123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8925 -1.1969 -1.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2438 -1.5320 0.1576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6039 0.8446 0.6341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7173 1.3508 -2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5774 2.7736 0.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7707 2.9117 0.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7736 2.6580 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2003 -2.8430 -0.4807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1973 -3.2113 1.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6816 -3.5672 0.3282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2137 -1.4826 0.0541 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 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 15 1 0 15 16 1 0 16 17 1 0 15 18 2 0 18 6 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 5 26 1 0 7 27 1 0 8 28 1 0 14 29 1 0 17 30 1 0 17 31 1 0 17 32 1 0 18 33 1 0 M END