HMDB0240503 RDKit 3D Enterodiol glucuronide 64 66 0 0 0 0 0 0 0 0999 V2000 -8.4482 2.0112 0.4137 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2765 1.8361 0.8293 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7105 2.8098 1.6382 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4989 0.6478 0.4890 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2383 0.7018 1.0754 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4801 -0.3091 0.4174 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1654 -0.0292 0.6292 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2524 0.3047 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 0.3947 -1.6709 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5734 0.7416 -2.5905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2907 0.9878 -2.1674 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0323 0.8977 -0.8372 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4626 1.1734 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 -0.1177 -0.4177 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1922 -0.7164 -1.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9115 -1.9230 -1.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5755 -0.1492 0.1149 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6496 0.2278 1.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2052 1.4933 1.8003 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5852 0.5648 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9288 0.4630 -0.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3807 1.4117 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6139 1.3640 1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4387 0.2999 1.1008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9966 -0.6618 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8350 -1.7362 -0.0923 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 -0.5958 -0.4023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9283 0.5620 0.0650 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9227 -1.6446 1.0059 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2413 -2.6298 0.2564 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3815 -1.8354 0.7811 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8308 -2.7779 1.7347 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1960 -0.5856 1.0060 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3716 -0.7276 0.2471 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8351 3.2658 1.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3164 0.5657 -0.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7857 -0.2513 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5647 0.2051 -2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 0.8017 -3.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4954 1.2596 -2.8819 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 1.9549 -1.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3146 1.6069 0.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5908 -0.8575 0.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 -0.0395 -2.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1406 -1.0155 -2.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4047 -2.4775 -1.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8947 -1.2394 0.0675 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -0.4661 2.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6341 -0.0019 2.0140 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3171 1.7606 2.7282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3621 1.6182 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6287 0.0506 -1.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7234 2.2595 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9501 2.1185 2.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4339 0.1933 1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7286 -2.5574 0.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4438 -1.3752 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6587 0.4939 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5846 -1.7388 2.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8392 -2.9921 -0.4455 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5805 -2.2585 -0.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2081 -2.2904 2.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4630 -0.4331 2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1781 -0.6141 -0.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 14 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 25 27 2 0 12 28 2 0 6 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 33 4 1 0 28 8 1 0 27 21 1 0 3 35 1 0 4 36 1 6 6 37 1 6 9 38 1 0 10 39 1 0 11 40 1 0 13 41 1 0 13 42 1 0 14 43 1 1 15 44 1 0 15 45 1 0 16 46 1 0 17 47 1 1 18 48 1 0 18 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 22 53 1 0 23 54 1 0 24 55 1 0 26 56 1 0 27 57 1 0 28 58 1 0 29 59 1 1 30 60 1 0 31 61 1 6 32 62 1 0 33 63 1 1 34 64 1 0 M END