HMDB0010331 RDKit 3D Palmitoyl glucuronide 71 71 0 0 0 0 0 0 0 0999 V2000 9.0210 0.2833 1.8163 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1223 1.2617 1.1134 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5788 0.7342 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7603 -0.5276 0.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2208 -1.0458 -1.2664 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4241 -2.2657 -1.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2898 -2.2418 -0.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1623 -1.3473 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 0.1001 -0.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0805 0.8393 -0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0114 0.5365 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2319 1.3387 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7062 0.9770 -1.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0444 -0.4620 -1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1238 -0.8911 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3651 -0.1026 -0.9388 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4068 -0.4764 -0.0846 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5121 0.3047 -0.3791 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9081 1.0889 0.6991 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2488 1.3987 0.6959 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.5295 2.5346 1.5925 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6036 3.0746 2.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8130 3.0067 1.7363 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0363 0.1829 1.1343 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3761 0.2591 0.8116 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3495 -1.0236 0.5200 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3343 -1.3874 1.4349 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6310 -0.6405 -0.7581 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.4653 -0.1498 -1.7300 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7860 0.8541 2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4794 -0.3907 1.0748 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4745 -0.3353 2.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7378 2.1635 0.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3363 1.6196 1.8014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8851 1.5148 -0.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3765 0.5897 -0.9030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9514 -0.3689 0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4618 -1.2653 0.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1573 -1.4072 -1.8781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7947 -0.3233 -1.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1123 -3.1290 -0.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0231 -2.5744 -2.0742 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8630 -3.2943 -0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0239 0.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 -1.5794 -1.4552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -1.5826 0.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6331 0.4146 0.6814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1382 0.5610 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8515 0.5936 -1.8065 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2562 1.9411 -0.7324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3388 0.8359 1.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7516 -0.5444 0.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9572 1.1952 0.6772 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1097 2.4098 -0.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6106 1.5735 -1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0521 1.2647 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1589 -1.1320 -1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4696 -0.5767 -2.6843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3274 -1.9652 -0.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7706 -0.8052 0.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 -0.1829 -2.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2154 0.9930 -0.7220 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2687 0.9966 -1.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6068 1.7138 -0.3275 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5308 2.5772 2.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9734 0.1479 2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7972 -0.5812 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0650 -1.8440 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9715 -2.2778 1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1941 -1.5957 -1.1541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9542 0.4607 -2.3094 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 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 10 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 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 20 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 18 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 12 54 1 0 13 55 1 0 13 56 1 0 14 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 16 62 1 0 18 63 1 6 20 64 1 6 23 65 1 0 24 66 1 1 25 67 1 0 26 68 1 6 27 69 1 0 28 70 1 6 29 71 1 0 M END