HMDB0062720 RDKit 3D Thymol Sulfate 29 29 0 0 0 0 0 0 0 0999 V2000 -3.3419 -2.1250 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2054 -1.1836 -0.1513 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 0.0516 -0.7638 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2352 0.8982 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0675 0.5221 -0.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 1.4852 -0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8269 2.5767 -1.0773 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 2.1465 1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0171 -0.7198 0.5032 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2160 -1.0745 1.1306 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4117 -1.8995 0.2163 S 0 0 0 0 0 6 0 0 0 0 0 0 2.2882 -1.4280 -1.2027 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1624 -3.3837 0.1990 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9204 -1.5896 0.8382 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0502 -1.5860 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3005 -1.6157 -0.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1805 -2.8466 -0.9618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3799 -2.6690 0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2634 0.3153 -1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 1.8645 -1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0472 1.0605 -0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7726 3.1906 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0324 3.2517 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6830 2.1098 -2.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 2.9621 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9123 2.6458 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5834 1.4131 2.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6029 -1.7996 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9834 -2.5733 0.9627 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 6 8 1 0 5 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 2 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 7 23 1 0 7 24 1 0 8 25 1 0 8 26 1 0 8 27 1 0 14 28 1 0 15 29 1 0 M END