HMDB0061688 RDKit 3D 4-Hydroxyretinoic acid glucuronide 71 72 0 0 0 0 0 0 0 0999 V2000 -1.2555 -1.7559 1.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3997 -1.4828 0.1230 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3599 -1.0119 -0.5253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8689 -0.7796 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9848 -0.3204 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2194 -0.0880 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -0.3617 1.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2669 0.3801 -0.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5269 0.6265 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5643 1.0941 -0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8243 1.3488 0.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0729 1.1193 1.9582 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8339 1.8302 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1110 2.1088 0.3666 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4309 1.9536 1.5528 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1129 2.6132 -0.4994 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4128 -0.7130 -1.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6023 -1.6154 -2.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0608 0.7172 -2.3099 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7869 -0.9448 -2.5862 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 -2.0339 -1.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7248 -1.7832 -0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5747 -0.7697 -0.1064 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6464 -1.0934 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7983 -0.8600 -0.1137 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0742 0.4662 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0035 0.6500 -1.4029 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3927 -0.3588 -2.0378 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4764 1.8887 -1.8143 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7769 0.9435 1.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5527 2.3042 1.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2286 0.1050 2.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4279 0.6809 3.3863 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 -0.2694 1.9227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4064 -1.0057 3.0726 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 -2.4734 1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9710 -0.8057 2.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1471 -2.1895 2.0475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8775 -1.0090 1.2732 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0072 -0.0837 -1.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6936 0.5485 2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4497 -0.7354 2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1803 -1.0957 2.0167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2098 0.5890 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5292 0.4003 1.5630 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4677 1.2939 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3592 2.0438 2.5146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8896 0.3731 2.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1984 0.7213 2.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6613 2.0072 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9159 3.5133 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2130 -2.2091 -1.9571 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 -2.3944 -3.2661 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2648 -1.0890 -3.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6971 0.8232 -3.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1303 1.3213 -1.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9863 1.1914 -2.7518 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5942 -1.2921 -3.6353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 -0.0011 -2.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9410 -2.9711 -2.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4747 -2.2092 -2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0937 -2.7383 0.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7154 -2.1619 0.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1873 1.0960 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8198 2.6806 -1.8440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8630 0.7995 0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1487 2.8499 0.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7957 -0.8685 2.1055 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0349 1.4602 3.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1098 0.6159 1.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1975 -1.5840 3.2818 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 2 0 14 16 1 0 3 17 1 0 17 18 1 0 17 19 1 0 17 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 26 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 22 2 1 0 34 24 1 0 1 36 1 0 1 37 1 0 1 38 1 0 4 39 1 0 5 40 1 0 7 41 1 0 7 42 1 0 7 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 12 47 1 0 12 48 1 0 12 49 1 0 13 50 1 0 16 51 1 0 18 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 24 63 1 0 26 64 1 0 29 65 1 0 30 66 1 0 31 67 1 0 32 68 1 0 33 69 1 0 34 70 1 0 35 71 1 0 M END