HMDB0003141 RDKit 3D Retinoyl b-glucuronide 70 71 0 0 0 0 0 0 0 0999 V2000 -6.3613 0.5733 -3.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7628 1.8664 -4.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5725 2.1984 -3.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0690 1.2215 -2.5939 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9655 1.1854 -1.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6724 0.0156 -0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6725 -1.0098 -0.7400 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 -0.0136 -0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0085 -1.0847 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2135 -1.0116 0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8731 -1.9250 1.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1166 -3.0673 2.4334 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1244 -1.7380 2.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8813 -2.6278 3.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4346 -3.6325 3.6434 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2194 -2.3207 3.3591 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0854 -3.0971 4.1541 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5413 -2.3620 5.1832 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5268 -1.4571 5.0890 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8998 -0.1141 5.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7149 0.0987 5.5886 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7185 0.9940 5.0307 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1768 -1.4730 3.7281 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4612 -0.9046 3.9253 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4459 -2.9240 3.4089 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2590 -3.1304 2.3250 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1726 -3.7216 3.2713 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4510 -5.0178 3.7139 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0488 3.4721 -3.8616 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7408 4.0003 -3.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0876 4.5326 -3.3829 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0675 3.5241 -5.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4721 3.5327 -5.9168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4163 2.6739 -5.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3209 0.4436 -4.2986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6230 0.4663 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6649 -0.2511 -4.0038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6776 0.2968 -2.3947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 1.9967 -1.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9831 -1.3982 -1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 -1.8708 -0.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6008 -0.6091 -0.2374 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7374 0.6148 -0.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 -1.9812 0.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7846 -0.1047 0.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9833 -2.9623 2.2376 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4234 -3.9902 1.9084 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2560 -3.1515 3.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 -0.8624 1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5294 -3.9873 4.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3129 -1.6109 5.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4875 1.8416 5.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5756 -0.9358 3.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5582 -0.5034 4.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0082 -3.3132 4.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1511 -3.5489 2.5363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -3.6504 2.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8411 -5.3023 4.4584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7294 4.3748 -2.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5522 4.9808 -4.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 3.4410 -3.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2326 5.2914 -4.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6995 5.0004 -2.4670 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0350 4.0530 -3.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4448 2.6827 -5.7368 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 4.4658 -5.6827 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 3.1607 -6.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8333 4.5518 -5.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3156 3.2232 -4.8483 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8245 1.8917 -5.8897 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 19 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 3 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 2 1 0 27 17 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 5 39 1 0 7 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 12 46 1 0 12 47 1 0 12 48 1 0 13 49 1 0 17 50 1 1 19 51 1 1 22 52 1 0 23 53 1 6 24 54 1 0 25 55 1 1 26 56 1 0 27 57 1 6 28 58 1 0 30 59 1 0 30 60 1 0 30 61 1 0 31 62 1 0 31 63 1 0 31 64 1 0 32 65 1 0 32 66 1 0 33 67 1 0 33 68 1 0 34 69 1 0 34 70 1 0 M END