HMDB0251291 RDKit 3D Dihydro-dids 40 41 0 0 0 0 0 0 0 0999 V2000 1.1808 -3.5784 0.7887 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3440 -2.6766 1.2129 S 0 0 0 0 0 6 0 0 0 0 0 0 2.4613 -2.5697 2.6837 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7009 -3.6146 0.7134 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3381 -1.1972 0.3446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2692 -1.0339 -0.6928 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3528 0.1194 -1.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3413 0.1581 -2.4583 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4705 0.7063 -2.2945 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8163 1.4879 -1.9848 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5088 1.1517 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5947 1.0017 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4929 -0.1776 0.6222 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4694 -0.2422 1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8444 -0.8223 1.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5852 -0.1751 0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 -0.6305 -1.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1416 -0.0419 -2.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9671 1.0321 -1.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6841 1.6645 -3.0269 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8296 1.2552 -3.3905 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1688 0.4086 -3.7858 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0948 1.4905 -0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4061 0.8899 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6758 1.5719 1.9575 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.4572 2.4275 2.3257 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9455 0.6807 3.0714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9311 2.7339 1.8760 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5445 -3.9014 -0.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9501 -1.8669 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5939 2.0503 -1.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9125 1.8167 0.0802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4567 0.7409 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8285 -0.9146 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6811 -1.8687 0.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4678 -0.9566 2.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8025 -1.4856 -1.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 -0.4207 -3.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7551 2.3454 -0.4936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6979 2.4413 2.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 2 0 2 4 1 0 2 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 2 0 7 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 2 0 19 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 25 27 2 0 25 28 1 0 13 5 1 0 24 16 1 0 4 29 1 0 6 30 1 0 11 31 1 0 12 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 23 39 1 0 28 40 1 0 M END