HMDB0003546 RDKit 3D Salicin 38 39 0 0 0 0 0 0 0 0999 V2000 4.1282 2.2867 -0.7564 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 1.2585 -1.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1300 0.2825 0.0186 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -0.3349 0.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0675 -1.2045 1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8632 -1.4397 2.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7493 -0.7496 1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8676 0.0761 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8909 0.7614 -0.0551 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4207 0.5469 -0.3831 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3423 1.1947 0.3243 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6631 0.9453 -0.0672 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5271 1.6287 0.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1454 1.0994 2.2241 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9878 -0.5248 -0.1562 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2904 -0.7010 -0.4929 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0332 -1.0921 -1.2185 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3840 -2.4073 -1.4539 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6525 -0.9636 -0.6147 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3503 -1.3690 -1.4920 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5011 3.0947 -0.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2747 1.6285 -1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7348 0.7412 -2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 -0.2592 0.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 -1.7374 1.9156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -2.0382 3.0188 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8174 -0.9391 2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 0.8826 -1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8917 1.3993 -1.0561 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5814 1.3593 0.7419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3288 2.7025 0.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1491 1.8762 2.8443 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -1.0668 0.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4139 -0.8524 -1.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1615 -0.4643 -2.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1740 -2.7219 -2.3653 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6422 -1.4413 0.3576 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 -1.4575 -2.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 12 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 8 3 1 0 19 10 1 0 1 21 1 0 2 22 1 0 2 23 1 0 4 24 1 0 5 25 1 0 6 26 1 0 7 27 1 0 10 28 1 6 12 29 1 6 13 30 1 0 13 31 1 0 14 32 1 0 15 33 1 1 16 34 1 0 17 35 1 6 18 36 1 0 19 37 1 1 20 38 1 0 M END