HMDB0010335 RDKit 3D Estriol-3-glucuronide 65 69 0 0 0 0 0 0 0 0999 V2000 -4.8036 2.0118 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7863 0.7511 0.4283 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9892 0.8196 1.6817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5341 0.9344 1.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 -0.2922 0.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6805 -0.2795 0.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2488 -0.4886 1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6287 -0.4939 0.9575 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0714 -0.2812 -0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3808 -0.2662 -0.6461 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5168 -0.4469 0.1500 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2931 0.7035 0.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4255 0.6922 0.7778 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4268 1.6050 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5614 1.7833 0.6927 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1231 2.2980 -0.9734 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0352 -0.6883 0.9129 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4505 -1.4308 1.9205 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7288 -1.4152 -0.3999 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0462 -0.5694 -1.4615 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2458 -1.6635 -0.4168 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9577 -2.7931 0.3146 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1411 -0.0697 -1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2227 -0.0685 -1.0718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1207 0.1709 -2.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5197 0.5585 -1.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9295 -0.4605 -0.7457 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3420 -0.4621 -0.3494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3611 -0.5626 -1.4123 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6626 -0.3104 -0.6426 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1704 -1.5737 -0.3140 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2479 0.3494 0.6694 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0509 1.4458 0.8952 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7540 1.9033 -1.4403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7625 2.5731 -0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0092 2.6987 0.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1167 -0.0959 2.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2501 1.7468 2.2454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2886 1.8716 0.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9359 0.9391 2.2402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3881 -1.1723 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0481 -0.6625 2.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3163 -0.6661 1.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2107 -0.6220 1.1882 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2244 1.0338 1.8359 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5018 3.2301 -1.0959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.6216 0.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7412 -1.0635 2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2426 -2.3838 -0.4641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6627 -0.9021 -2.2946 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 -1.8433 -1.4716 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0018 -2.8992 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 0.0962 -2.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7119 1.0155 -2.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 -0.7170 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1623 0.5578 -2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3789 1.5888 -1.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6618 -1.4686 -1.1285 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4971 -1.3384 0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 -1.6099 -1.8171 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2437 0.1021 -2.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3644 0.2940 -1.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4308 -2.0662 0.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2544 -0.3790 1.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5041 1.3533 1.7845 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 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 13 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 9 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 28 2 1 0 32 2 1 0 27 5 1 0 24 6 1 0 21 11 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 0 7 42 1 0 8 43 1 0 11 44 1 1 13 45 1 1 16 46 1 0 17 47 1 1 18 48 1 0 19 49 1 6 20 50 1 0 21 51 1 6 22 52 1 0 23 53 1 0 25 54 1 0 25 55 1 0 26 56 1 0 26 57 1 0 27 58 1 0 28 59 1 0 29 60 1 0 29 61 1 0 30 62 1 6 31 63 1 0 32 64 1 1 33 65 1 0 M END