HMDB0040415 RDKit 3D 28-Hydroxymangiferonic acid 80 84 0 0 0 0 0 0 0 0999 V2000 7.8982 2.6459 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9506 1.8584 -0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6559 1.9794 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5784 1.3163 -0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8109 0.4848 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6450 -0.2656 -0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3156 -1.1561 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9296 -0.9810 0.6189 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4614 0.0844 1.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4529 -0.7305 2.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3500 -1.4748 1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 -2.7644 2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 -0.7414 0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5150 0.7662 1.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9847 1.2297 1.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5752 1.0065 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0927 1.1696 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6442 1.1159 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4835 2.5269 -0.8076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9398 3.5681 -0.0948 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7067 0.1453 -1.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6734 -0.5036 -0.7355 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0788 -0.0288 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5613 -0.1401 -2.3507 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2387 -0.2893 -0.8895 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6471 -1.5981 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1769 -1.0950 -0.3620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2599 -1.8574 -1.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1309 -1.2503 -1.1178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6468 -1.6712 0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 -3.1443 0.1121 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5089 0.9941 -1.2621 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8993 0.2756 -2.0692 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9197 0.9398 -1.3614 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7020 1.9264 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2947 3.5123 0.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3650 2.8860 1.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3712 2.6817 0.7337 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8837 2.1523 -1.1719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8860 0.7058 -1.6703 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4705 1.1893 0.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5298 -0.2755 0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 0.5258 -0.9624 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4212 -1.2035 -1.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0230 -0.7910 -2.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9911 -2.2160 -1.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6374 -1.6208 1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0902 0.9170 1.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2718 0.3335 2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0582 -1.5047 2.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1295 -0.2232 3.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5166 -3.3442 1.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0495 -3.3288 2.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3659 -2.3967 2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3424 -0.9948 1.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1097 1.2632 0.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0932 1.1370 1.9943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5174 0.5465 1.8347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0606 2.2822 1.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1770 1.8199 -0.9078 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1279 1.8941 1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5832 0.1227 1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7064 1.4047 1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5912 2.5606 -0.8520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1242 2.4987 -1.8605 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4043 4.3970 -0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 0.8015 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5285 -0.9572 -2.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2757 -0.9808 -2.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1496 0.7953 -2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -1.5915 0.6379 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8958 -2.4456 -0.9967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5138 -1.7583 -2.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2632 -2.9418 -1.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0684 -0.1891 -1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7271 -1.7362 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 -3.3789 0.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0505 -3.4619 -0.9714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1929 -3.8145 0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4321 0.3864 -0.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 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 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 17 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 2 32 1 0 32 33 2 0 32 34 1 0 30 8 1 0 30 11 1 0 27 13 1 0 25 16 1 0 27 25 1 0 1 35 1 0 1 36 1 0 1 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 0 5 42 1 0 6 43 1 0 7 44 1 0 7 45 1 0 7 46 1 0 8 47 1 0 9 48 1 0 9 49 1 0 10 50 1 0 10 51 1 0 12 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 14 57 1 0 15 58 1 0 15 59 1 0 16 60 1 0 18 61 1 0 18 62 1 0 18 63 1 0 19 64 1 0 19 65 1 0 20 66 1 0 23 67 1 0 23 68 1 0 24 69 1 0 24 70 1 0 26 71 1 0 26 72 1 0 28 73 1 0 28 74 1 0 29 75 1 0 29 76 1 0 31 77 1 0 31 78 1 0 31 79 1 0 34 80 1 0 M END