HMDB0037540 RDKit 3D Margaritene 74 78 0 0 0 0 0 0 0 0999 V2000 0.9210 5.4261 3.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 4.4824 4.3025 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0314 3.2514 3.6806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9907 2.3412 4.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0999 1.1052 3.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2548 0.7424 2.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 -0.5488 1.6458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5590 -1.3069 1.8597 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7866 -2.5079 1.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8122 -3.2074 1.4296 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8371 -2.9668 0.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0269 -4.1898 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1922 -4.8887 -0.0089 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0647 -4.6367 -1.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9315 -3.9163 -1.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0109 -4.3931 -2.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 -2.6871 -0.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4899 -2.0022 -0.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5049 -2.9557 -0.6222 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2366 -3.3556 0.6670 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2152 -4.4785 1.0388 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0835 -5.5618 0.1944 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3663 -2.2367 1.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5511 -2.4286 2.3736 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3799 -0.8501 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7202 -0.3913 1.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8020 -0.7210 -0.3216 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8662 -0.1702 -1.1187 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5593 1.0616 -1.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3999 2.0711 -1.2048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0331 3.3288 -1.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 4.2844 -1.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 3.3712 -2.8534 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 4.5832 -3.4963 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 2.2768 -3.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7520 2.3552 -4.9325 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4953 0.9440 -3.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2400 0.4106 -3.4513 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7010 -2.1980 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5529 -1.0348 0.8100 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3000 1.6689 2.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1833 2.9066 2.6614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0660 4.9437 3.8191 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2265 5.9458 3.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8811 6.1723 4.8073 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6739 2.5869 4.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8672 0.4146 3.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3141 -0.9461 2.5329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4003 -5.7751 -0.4420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2096 -5.5818 -1.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8662 -4.0057 -2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 -1.9621 -2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2358 -3.8239 0.7812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2536 -4.0772 1.0328 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0198 -4.8245 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6260 -6.2978 0.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5573 -2.3356 2.4099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 -1.6318 2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -0.2140 1.7926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2422 -0.9161 0.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0310 0.0342 -0.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5360 1.3327 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3829 3.7520 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3973 4.5898 -2.7705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0816 5.1953 -1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 3.7572 -1.3262 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 3.3531 -2.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1672 5.3544 -2.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6331 2.3938 -4.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4784 3.3037 -5.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2406 0.2279 -3.5346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5025 0.9955 -3.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6193 1.4599 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4051 3.6020 2.3516 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 17 39 2 0 39 40 1 0 6 41 1 0 41 42 2 0 42 3 1 0 40 7 1 0 39 11 1 0 27 18 1 0 37 29 1 0 1 43 1 0 1 44 1 0 1 45 1 0 4 46 1 0 5 47 1 0 8 48 1 0 13 49 1 0 14 50 1 0 16 51 1 0 18 52 1 0 20 53 1 0 21 54 1 0 21 55 1 0 22 56 1 0 23 57 1 0 24 58 1 0 25 59 1 0 26 60 1 0 27 61 1 0 29 62 1 0 31 63 1 0 32 64 1 0 32 65 1 0 32 66 1 0 33 67 1 0 34 68 1 0 35 69 1 0 36 70 1 0 37 71 1 0 38 72 1 0 41 73 1 0 42 74 1 0 M END