HMDB0010340 RDKit 3D Retinyl beta-glucuronide 71 72 0 0 0 0 0 0 0 0999 V2000 -6.4817 0.5588 2.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2035 0.8524 1.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9461 0.6358 0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9719 0.1396 1.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 -0.2571 2.3286 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2112 -0.7338 3.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6367 -1.4948 4.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 -0.6965 2.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4082 -0.1564 1.7713 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9306 -0.1295 1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5353 0.3853 0.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7514 0.8786 -0.7395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 0.4414 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7885 -0.0378 1.2928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5178 -1.0658 0.6467 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3483 -0.5334 -0.3619 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9036 -0.7713 -1.6220 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -0.2751 -2.5918 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1958 -0.5057 -3.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9301 -0.5684 -4.0539 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9532 -0.6603 -5.0926 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1230 -0.8272 -2.5044 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0838 0.1916 -2.8076 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4876 -1.4919 -1.2106 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2406 -2.8812 -1.3242 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7494 -0.9094 -0.0324 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4725 0.1040 0.5858 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6798 0.7821 -0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5413 -0.1409 -1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4080 2.1905 -1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8988 0.2587 -1.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0910 1.1051 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2662 1.3597 0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8658 1.2118 3.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5781 0.7855 2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3642 -0.5210 2.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9899 0.1870 0.6052 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1400 -0.2588 3.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5000 -2.1200 4.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0279 -0.8100 5.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8265 -2.1113 4.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2366 -1.1218 3.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9565 0.2284 0.9742 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5174 -0.5526 2.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2786 0.5111 -1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2332 0.3753 -0.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6851 1.9623 -0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3099 0.8224 -0.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -0.4454 2.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4895 0.7915 1.5378 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2284 0.5938 -0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7793 0.8438 -2.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0153 -1.6714 -5.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2866 -1.5625 -3.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 1.0095 -2.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5619 -1.4083 -1.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2126 -3.2651 -0.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7232 -1.7478 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9015 0.5271 1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7781 -0.3427 -2.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5570 0.3389 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6242 -1.0543 -0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6360 2.6556 -0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2906 2.8366 -1.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9035 2.1653 -2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6771 0.1652 -2.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1071 -0.7841 -1.1755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0267 0.6101 -1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0132 2.0465 -1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2423 0.8919 0.4301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4240 2.4704 0.2643 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 2 0 5 6 1 0 6 7 1 0 6 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 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 2 0 19 21 1 0 18 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 3 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 1 0 33 2 1 0 26 16 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 5 38 1 0 7 39 1 0 7 40 1 0 7 41 1 0 8 42 1 0 9 43 1 0 10 44 1 0 12 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 14 49 1 0 14 50 1 0 16 51 1 1 18 52 1 1 21 53 1 0 22 54 1 6 23 55 1 0 24 56 1 1 25 57 1 0 26 58 1 1 27 59 1 0 29 60 1 0 29 61 1 0 29 62 1 0 30 63 1 0 30 64 1 0 30 65 1 0 31 66 1 0 31 67 1 0 32 68 1 0 32 69 1 0 33 70 1 0 33 71 1 0 M END