HMDB0035085 RDKit 3D Vulgarole 35 36 0 0 0 0 0 0 0 0999 V2000 4.2397 0.5839 -0.5376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 0.0482 0.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2613 -0.4191 1.3602 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7836 0.0404 -0.2969 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7286 -0.4909 0.4889 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0538 -1.6574 -0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3415 -2.8543 0.4488 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3875 -1.2827 -0.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7372 -1.2934 1.3307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1767 -0.0072 1.9177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3472 0.5227 0.7531 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0778 1.9108 0.8748 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3184 0.2338 -0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8211 0.5920 -1.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6651 0.8416 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9180 1.3538 -1.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7975 -0.2400 -1.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9404 1.0086 0.2104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 -0.8574 1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4348 -1.7908 -1.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1595 -3.5785 0.0355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0750 -1.7908 -0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1728 -2.1276 1.8224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7880 -1.4498 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9819 0.6997 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5650 -0.1944 2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2595 2.6055 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2031 1.9727 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2080 2.4148 1.8398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1812 1.4963 -1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7027 0.8850 -2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2832 -0.1739 -2.2711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2156 0.8018 -1.1234 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2955 0.2725 0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5958 1.9241 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 11 5 1 0 13 8 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 9 24 1 0 10 25 1 0 10 26 1 0 12 27 1 0 12 28 1 0 12 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 15 34 1 0 15 35 1 0 M END