HMDB0251857 RDKit 3D Epinephrine sulfoconjugate 30 30 0 0 0 0 0 0 0 0999 V2000 4.5061 0.4907 0.9604 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0059 0.5519 -0.3758 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5851 0.5642 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9182 -0.7111 -0.1379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1955 -1.0009 1.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4405 -0.6171 -0.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1509 0.4303 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 0.5041 -1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3497 -0.4728 -0.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7330 -0.3389 -0.6631 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7155 0.4751 0.4416 S 0 0 0 0 0 6 0 0 0 0 0 0 -6.1225 -0.0237 0.2424 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3472 0.1225 1.8739 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 2.1398 0.2908 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7793 -1.5284 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5908 -2.5072 0.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3967 -1.5807 0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6130 0.7111 0.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -0.5142 1.4239 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0813 1.2842 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 1.3794 -0.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3702 0.7321 -1.6130 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1367 1.4414 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2425 -1.5814 -0.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0610 -0.1919 1.7715 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 1.2380 -1.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9648 1.3573 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5605 2.4791 0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5873 -2.4220 0.6090 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0254 -2.4109 0.7955 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 15 17 2 0 17 6 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 5 25 1 0 7 26 1 0 8 27 1 0 14 28 1 0 16 29 1 0 17 30 1 0 M END