HMDB0033566 RDKit 3D Ajoene 27 26 0 0 0 0 0 0 0 0999 V2000 6.1138 0.3398 1.4342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 -0.1643 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0285 0.0722 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1515 -1.5185 0.2513 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0654 -1.2696 0.0466 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5427 -1.2593 -1.6554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 -0.4435 -1.9968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0273 0.4086 -0.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7847 -0.0463 -0.8668 S 0 0 0 0 0 4 0 0 0 0 0 0 -2.8632 -1.5263 -0.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6296 0.9222 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0467 0.4982 0.3876 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5910 -0.0141 1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6162 0.9259 2.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1899 0.1805 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9713 -0.7533 -0.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8602 0.5180 -0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6110 0.7823 0.9829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0343 -1.9145 -2.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8122 -0.3810 -3.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5385 0.2956 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9975 1.4901 -1.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1909 0.7002 1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 1.9999 0.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6174 0.6142 -0.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 -0.3377 1.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9868 -0.1192 2.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 3 1 14 1 0 1 15 1 0 2 16 1 0 3 17 1 0 3 18 1 0 6 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 11 23 1 0 11 24 1 0 12 25 1 0 13 26 1 0 13 27 1 0 M END