HMDB0033086 RDKit 3D Cyclocurcumin 47 49 0 0 0 0 0 0 0 0999 V2000 -3.6873 -0.0642 -4.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7838 0.2755 -3.5803 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6510 0.5071 -2.2181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3908 0.3940 -1.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2413 0.6221 -0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9414 0.5203 0.3305 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6924 0.7180 1.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 0.5887 2.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1792 0.8088 3.4703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1282 0.7028 4.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3640 1.0506 5.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2330 0.1480 3.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0392 0.6701 1.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 0.2240 0.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1114 1.1224 0.6438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1643 0.7941 -0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2390 -0.4795 -0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2858 -0.8387 -1.5422 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 -1.3749 -0.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3200 -2.6579 -0.8947 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -3.6234 -0.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1995 -1.0492 0.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7666 0.2576 1.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3480 0.9491 0.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6254 1.0614 -0.1384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7590 0.8341 -1.4778 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0114 0.9333 -2.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8731 0.6444 -4.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0153 -0.0224 -5.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3335 -1.0824 -4.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5017 0.1397 -2.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0457 0.2545 -0.2637 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5119 0.9808 2.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0425 1.0742 4.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0533 -0.9619 3.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 0.3822 3.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 1.7779 1.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 2.1412 1.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9416 1.5093 -0.4424 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0093 -0.1860 -1.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4168 -3.3210 -1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2208 -3.6917 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6971 -4.6299 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4094 -1.7381 0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3218 1.1428 1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4871 1.3219 0.4704 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8383 1.1704 -1.5739 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 19 22 2 0 13 23 1 0 5 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 26 3 1 0 23 8 1 0 22 14 1 0 1 28 1 0 1 29 1 0 1 30 1 0 4 31 1 0 6 32 1 0 7 33 1 0 9 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 15 38 1 0 16 39 1 0 18 40 1 0 21 41 1 0 21 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 25 46 1 0 27 47 1 0 M END