HMDB0006766 RDKit 3D Estriol-16-Glucuronide 65 69 0 0 0 0 0 0 0 0999 V2000 0.7399 2.6062 -0.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6578 1.4236 0.7946 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5679 1.5117 1.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0007 1.5215 1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 0.2291 0.7468 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6493 0.0256 0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6819 0.8788 0.6446 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9441 0.5558 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -0.5749 -0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5119 -0.8573 -0.9989 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1702 -1.4340 -0.8693 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9164 -1.1179 -0.4180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7134 -1.9788 -0.6966 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5738 -1.1656 -1.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3303 0.1081 -0.4726 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9498 0.1093 0.0561 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1423 0.1031 -0.9430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3421 0.5968 -0.1615 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0990 -0.5195 0.1815 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3945 -0.3932 -0.2770 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3067 -0.3603 0.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5303 -0.0066 0.2620 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.5074 0.4027 1.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6542 0.7422 0.8968 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1937 0.4191 2.6593 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0383 -1.2057 -0.5379 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3731 -1.0614 -0.8810 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -1.3017 -1.7620 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5133 -2.3505 -2.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7242 -1.5043 -1.2482 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8169 -1.4612 -2.2800 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7845 1.1976 1.1291 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4623 2.3323 1.5082 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1201 2.3719 -1.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3650 3.3892 0.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2667 3.0870 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3721 0.6869 2.6438 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4251 2.5243 2.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7156 1.6996 2.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0761 2.3384 0.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9237 -0.5961 1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4816 1.7668 1.2284 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7616 1.2263 0.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7359 -1.6600 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3248 -2.3487 -1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9904 -2.7134 -1.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4400 -2.5878 0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6742 -1.8099 -1.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 -0.9537 -2.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5864 0.9541 -1.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8229 -0.7020 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0098 0.7914 -1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2902 -0.9240 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9414 1.3319 -0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4946 0.5672 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3527 0.8139 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6493 1.2091 2.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8434 -2.1172 0.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9046 -1.4108 -0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2070 -0.3131 -2.2684 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2684 -2.0171 -3.1600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7314 -2.4926 -0.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9377 -2.1862 -2.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8057 0.4052 1.9322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7670 2.1990 2.4419 H 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 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 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 18 32 1 0 32 33 1 0 16 2 1 0 30 20 1 0 32 2 1 0 15 5 1 0 12 6 1 0 1 34 1 0 1 35 1 0 1 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 5 41 1 1 7 42 1 0 8 43 1 0 10 44 1 0 11 45 1 0 13 46 1 0 13 47 1 0 14 48 1 0 14 49 1 0 15 50 1 6 16 51 1 1 17 52 1 0 17 53 1 0 18 54 1 6 20 55 1 6 22 56 1 6 25 57 1 0 26 58 1 1 27 59 1 0 28 60 1 6 29 61 1 0 30 62 1 1 31 63 1 0 32 64 1 1 33 65 1 0 M END