HMDB0006765 RDKit 3D 2-Methoxy-estradiol-17b 3-glucuronide 68 72 0 0 0 0 0 0 0 0999 V2000 2.1381 2.6085 -1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4077 1.3261 -0.7083 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4099 0.5065 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 0.9454 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9338 0.1667 0.3640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6163 -1.0964 0.8193 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6858 -1.5315 0.7613 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7385 -0.7518 0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9579 -1.3238 0.2679 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2154 -0.9751 -0.0998 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8388 -1.8478 -0.9975 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9424 -1.1666 -1.5085 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5904 -1.9366 -2.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1172 -3.0458 -2.9471 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7089 -1.4244 -3.2475 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9809 -0.9188 -0.4464 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9143 -0.0092 -0.9245 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -0.3779 0.8334 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3008 -0.7139 1.8627 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 -1.0473 1.1629 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4135 -0.3504 2.1554 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6878 -2.0031 1.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7895 -1.1327 1.9789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3217 -0.3007 0.8640 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2856 0.7182 0.3839 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7673 1.2664 -0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0980 1.9421 -0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0899 0.9724 -0.1875 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.3636 -0.1735 -1.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3889 1.5539 0.2431 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3600 1.4997 -0.7694 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8797 0.6311 1.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6992 -0.2692 1.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5463 0.4682 1.1576 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4703 2.5551 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1166 3.0985 -1.4018 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6379 3.1687 -0.3381 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1292 1.9465 -0.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 -2.5474 1.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2581 0.0418 -0.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6550 -0.1598 -1.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6451 -0.4623 -3.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4399 -1.9064 -0.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7473 -0.4457 -1.2509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2385 0.7127 0.8154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9023 -0.4869 2.7409 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2249 -2.1219 1.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8093 -0.6513 3.0299 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1423 -2.4862 0.4814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2701 -2.7106 2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 -1.7784 2.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3111 -0.5472 2.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4772 -0.9831 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3366 1.5541 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0421 2.0738 -1.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7855 0.5444 -1.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4589 2.2608 -1.7416 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0298 2.8211 -0.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3786 -0.0173 -1.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4124 -1.1516 -0.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6611 -0.2164 -1.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3269 2.6023 0.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0469 1.9211 -1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7621 0.0580 1.0631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1628 1.2850 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8261 -1.2937 1.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6331 -0.2487 2.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3537 1.3620 1.7696 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 12 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 6 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 1 0 28 29 1 6 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 8 3 1 0 20 10 1 0 34 24 1 0 25 5 1 0 34 28 1 0 1 35 1 0 1 36 1 0 1 37 1 0 4 38 1 0 7 39 1 0 10 40 1 6 12 41 1 6 15 42 1 0 16 43 1 1 17 44 1 0 18 45 1 6 19 46 1 0 20 47 1 1 21 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 24 53 1 6 25 54 1 1 26 55 1 0 26 56 1 0 27 57 1 0 27 58 1 0 29 59 1 0 29 60 1 0 29 61 1 0 30 62 1 1 31 63 1 0 32 64 1 0 32 65 1 0 33 66 1 0 33 67 1 0 34 68 1 1 M END