HMDB0035435 RDKit 3D Cinchonain Id 7-glucoside 74 79 0 0 0 0 0 0 0 0999 V2000 -0.6145 4.9363 -2.7847 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4695 3.7119 -2.7117 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6168 2.7995 -3.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8927 2.0319 -1.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2722 3.0215 -0.6688 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8981 4.2058 -0.9746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2449 5.1406 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 4.8885 1.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3160 5.8365 2.2653 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3330 3.7081 1.6484 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 3.4650 2.9958 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9978 2.7955 0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6515 1.3082 -1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7748 0.0840 -0.7016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0497 -0.3889 -0.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3635 -1.5677 0.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1814 -2.3471 -0.6057 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3832 -3.6155 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4631 -4.2621 -0.9827 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7325 -5.5581 -0.5451 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8674 -3.6652 1.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4869 -4.9150 1.8349 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3245 -2.6057 2.1937 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1295 -2.4271 3.3033 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2223 -1.2692 1.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4696 -0.8781 0.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3847 -0.5590 -0.3591 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 -0.0613 -0.6444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 1.1412 -1.3064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5614 1.8501 -1.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7255 3.0738 -2.3652 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 1.7676 -1.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1474 1.1498 -0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1562 1.5850 0.4403 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0461 -0.3487 -0.8677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1549 -0.9157 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1440 -0.8405 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1742 -1.3675 2.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2580 -1.9909 1.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2917 -2.5191 2.2428 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2506 -2.0563 0.0996 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3224 -2.6766 -0.5531 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2256 -1.5327 -0.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8026 -0.7132 -0.2965 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4753 3.2844 -3.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1861 2.0309 -3.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7491 1.3350 -1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1645 4.4782 -1.9817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7368 6.0662 -0.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7716 6.6887 2.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2852 4.1167 3.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4978 1.8722 0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5125 -2.1878 0.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4553 -4.2081 -0.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1644 -4.2327 -2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4122 -3.6941 -0.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3134 -5.9645 -1.2465 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9801 -3.6465 1.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5839 -5.1012 1.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -2.8852 2.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5644 -2.4619 4.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7510 -0.5346 2.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4717 -0.7145 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3350 -1.4957 0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2265 1.6814 -2.7560 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0046 2.8597 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1038 1.4525 -1.3597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2395 1.5494 0.8356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0460 -0.7234 -1.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3318 -0.3694 1.8345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1477 -1.2977 3.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0625 -2.9642 1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3603 -2.7481 -1.5614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2586 -1.6048 -1.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 10 12 2 0 4 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 14 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 39 41 1 0 41 42 1 0 41 43 2 0 35 44 1 0 31 2 1 0 43 36 1 0 12 5 1 0 30 13 1 0 25 16 1 0 44 28 1 0 3 45 1 0 3 46 1 0 4 47 1 0 6 48 1 0 7 49 1 0 9 50 1 0 11 51 1 0 12 52 1 0 16 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 20 57 1 0 21 58 1 0 22 59 1 0 23 60 1 0 24 61 1 0 25 62 1 0 26 63 1 0 27 64 1 0 32 65 1 0 32 66 1 0 33 67 1 0 34 68 1 0 35 69 1 0 37 70 1 0 38 71 1 0 40 72 1 0 42 73 1 0 43 74 1 0 M END