HMDB0060649 RDKit 3D Ascorbic acid 2-sulfate 24 24 0 0 0 0 0 0 0 0999 V2000 1.0684 3.4840 0.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4533 2.3833 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8897 2.1320 0.0832 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1802 0.8263 -0.3071 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7219 0.1281 0.9440 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8631 0.7759 1.3998 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1011 -1.3032 0.6360 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 -1.3206 -0.3506 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1288 0.2655 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4103 -1.0255 -1.1700 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 1.1651 -0.5424 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 1.0139 -0.7981 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3352 -0.3465 -0.5500 S 0 0 0 0 0 6 0 0 0 0 0 0 4.7430 0.0294 -0.1104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4992 -1.2046 -1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6550 -1.2480 0.6932 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9245 0.7721 -1.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9287 0.1292 1.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 1.5917 1.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2507 -1.9315 0.3529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5745 -1.7096 1.5512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7219 -1.7652 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 -1.1578 -2.1207 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3872 -1.6840 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 4 9 1 0 9 10 1 0 9 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 2 0 13 16 1 0 11 2 1 0 4 17 1 6 5 18 1 1 6 19 1 0 7 20 1 0 7 21 1 0 8 22 1 0 10 23 1 0 16 24 1 0 M END