HMDB0257455 RDKit 3D Salacinol 38 38 0 0 0 0 0 0 0 0999 V2000 2.3442 -0.6733 3.1473 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8835 0.0836 1.9747 S 0 0 0 0 0 6 0 0 0 0 0 0 4.3948 -0.0240 2.0516 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4769 1.6842 2.0906 O 0 0 0 0 0 1 0 0 0 0 0 0 2.3133 -0.6512 0.5738 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3426 0.1882 -0.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8330 0.1498 -0.9996 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1860 -1.1310 -1.3484 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5056 -0.2685 -1.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8582 -1.5610 -2.0691 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0660 -0.0491 -1.5317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8841 -0.7389 -0.2799 S 0 0 0 0 0 3 0 0 0 0 0 0 -0.5385 -0.3114 1.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8915 -0.1759 2.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2441 -1.3725 2.6640 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 0.2125 1.0762 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1375 -0.4505 1.3175 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5449 -0.0498 -0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5248 1.2483 -1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 1.7471 -1.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1853 1.2514 -0.1908 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 0.8000 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4480 0.5897 -0.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0273 -1.7441 -0.6105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8668 0.3875 -2.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 -1.9495 -2.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4188 -0.3677 -2.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1660 1.0778 -1.5762 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0542 0.6147 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -1.1250 1.8998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7594 0.5679 2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9715 -1.8218 2.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1642 1.2996 1.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3041 -1.1391 0.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1746 -0.8156 -0.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1518 1.1416 -2.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8680 1.9463 -0.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2652 1.4300 -1.9652 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 1 0 6 7 1 0 7 8 1 0 6 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 18 12 1 0 6 21 1 0 7 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 11 28 1 0 13 29 1 0 13 30 1 0 14 31 1 0 15 32 1 0 16 33 1 0 17 34 1 0 18 35 1 0 19 36 1 0 19 37 1 0 20 38 1 0 M CHG 2 4 -1 12 1 M END