HMDB0013970 RDKit 3D Dehydroxyzyleuton 27 28 0 0 0 0 0 0 0 0999 V2000 1.4332 -1.4191 -2.0396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6577 -0.7541 -0.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 0.5165 -0.9104 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 0.8142 -0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1877 2.0714 -0.5290 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1518 -0.0154 0.4386 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 -0.4402 -0.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 -0.9270 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9021 -0.4712 0.4867 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2566 -0.8297 0.3974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1852 -0.2925 1.2479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8728 0.6172 2.2316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5403 0.9672 2.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 0.4277 1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0923 0.6254 1.2807 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0400 -0.7118 -2.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4272 -1.7497 -2.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7777 -2.2941 -1.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2054 -1.4377 -0.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8692 1.2158 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0199 2.3779 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8475 2.7500 -1.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9843 -1.6631 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6286 -1.5347 -0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2499 -0.5658 1.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5958 1.0439 2.9037 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2651 1.6791 3.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 4 6 2 0 2 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 7 1 0 14 9 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 5 21 1 0 5 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 M END