HMDB0037506 RDKit 3D Pinobanksin 5-[galactosyl-(1->4)-glucoside] 74 78 0 0 0 0 0 0 0 0999 V2000 -2.8180 -1.0242 0.2419 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8414 -0.3453 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7153 1.0813 -0.1873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4597 1.7049 -0.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3645 0.9213 -0.2348 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0046 1.2388 -0.3282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5831 0.9373 0.8779 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9720 0.9481 0.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3081 0.4581 2.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6179 0.3701 2.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6131 0.2704 -0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8305 -0.2292 -0.1119 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9526 0.0557 -0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9816 0.5955 0.1009 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6313 -0.3728 0.8411 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6149 0.1748 1.8162 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6290 0.9099 1.2420 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3135 -1.4058 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9566 -2.3732 0.7002 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1915 -2.1107 -0.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6819 -3.0894 -1.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5303 -1.0097 -1.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5435 -0.4495 -2.4126 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5854 -0.5878 -0.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8994 -1.4378 -0.1264 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5391 0.4120 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4508 -0.1875 -2.2034 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 3.0616 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5232 3.7947 -0.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4879 5.1714 -0.7026 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7734 3.1842 -0.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8658 1.8396 -0.2488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0693 1.1530 -0.1302 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2263 -0.1649 -0.6430 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5866 -0.6565 -0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8166 -1.9562 0.0440 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0923 -2.4232 0.3407 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1690 -1.5718 0.2548 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9566 -0.2669 -0.1258 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6893 0.1850 -0.4174 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1408 -1.0740 -0.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4917 -1.3625 1.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 2.3208 -0.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 2.0428 0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8078 -0.5286 2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8222 1.1724 2.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8336 0.8505 3.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7890 1.0762 -0.9871 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7632 0.8984 -1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8540 -0.9242 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0862 0.7652 2.6190 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0687 -0.6833 2.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7461 1.7304 1.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0085 -0.9475 -0.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3630 -2.6618 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4488 -2.4985 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6473 -3.2210 -1.3971 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7901 -1.4373 -2.2841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1477 -1.1583 -2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 -1.1314 -1.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1922 -2.3691 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0980 1.1019 -2.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2445 -1.1215 -2.4978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4408 3.6221 -0.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4511 5.7342 0.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6819 3.7701 -0.4656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0938 -0.0992 -1.7411 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0339 -2.6696 0.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2513 -3.4517 0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1615 -1.9230 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8122 0.4043 -0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5616 1.2148 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0804 -2.0127 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1257 -2.2343 1.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 15 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 11 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 4 28 1 0 28 29 2 0 29 30 1 0 29 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 2 0 34 41 1 0 41 42 1 0 41 2 1 0 32 3 1 0 40 35 1 0 26 6 1 0 22 13 1 0 6 43 1 0 8 44 1 0 9 45 1 0 9 46 1 0 10 47 1 0 11 48 1 0 13 49 1 0 15 50 1 0 16 51 1 0 16 52 1 0 17 53 1 0 18 54 1 0 19 55 1 0 20 56 1 0 21 57 1 0 22 58 1 0 23 59 1 0 24 60 1 0 25 61 1 0 26 62 1 0 27 63 1 0 28 64 1 0 30 65 1 0 31 66 1 0 34 67 1 0 36 68 1 0 37 69 1 0 38 70 1 0 39 71 1 0 40 72 1 0 41 73 1 0 42 74 1 0 M END