HMDB0240641 RDKit 3D Ascorbic acid 3-sulfate 24 24 0 0 0 0 0 0 0 0999 V2000 0.6663 0.1965 -3.8605 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2677 -0.0531 -2.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.0480 -2.1659 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9720 -0.3822 -0.8187 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6488 0.6598 0.0516 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.9775 0.7585 -0.4096 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7701 0.0720 1.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5489 0.8992 2.2634 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4374 -0.6164 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 -0.9788 0.7444 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2671 -0.2822 1.4967 S 0 0 0 0 0 6 0 0 0 0 0 0 3.2344 -1.3270 2.0258 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7725 0.4612 2.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0734 0.8411 0.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1437 -0.4208 -1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5347 -0.5625 -1.6063 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5705 -1.3206 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1990 1.6455 0.0089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0510 1.4875 -1.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2966 -0.9005 1.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7929 -0.1155 1.9243 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4954 0.7153 2.0377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0738 0.7357 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 -1.4647 -1.9277 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 10 11 1 0 11 12 2 0 11 13 2 0 11 14 1 0 9 15 2 0 15 16 1 0 15 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 14 23 1 0 16 24 1 0 M END