HMDB0010333 RDKit 3D Estriol-17-glucuronide 65 69 0 0 0 0 0 0 0 0999 V2000 -0.2191 -1.3184 -0.3563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0009 -0.0233 0.3478 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2544 1.0739 -0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5677 0.8338 -1.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6804 0.7303 -0.3331 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0002 0.5080 -0.9503 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2542 0.4846 -2.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5651 0.2605 -2.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6038 0.0643 -1.8147 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9117 -0.1599 -2.1822 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3372 0.0894 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0490 0.3095 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 0.3536 1.3856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5627 -0.6795 1.5448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3887 -0.4225 0.6398 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1416 -0.0620 1.3392 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6359 -1.0524 2.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8243 -0.6788 2.4457 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9707 0.0065 3.6641 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1622 0.2250 1.2751 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2821 -0.1386 0.6016 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2862 0.7821 0.4697 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3360 0.3324 1.2137 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3522 -0.3693 0.7436 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9549 -1.7847 0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8068 -2.6111 0.0223 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6968 -2.2886 0.7638 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8914 0.1485 -0.5689 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4660 1.4012 -0.3890 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7348 0.2812 -1.5362 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2338 -0.9145 -1.9774 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7004 1.1834 -0.8864 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3566 2.4428 -0.8081 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3437 -2.1691 0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0648 -1.2876 -1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2865 -1.6203 -0.3674 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2321 2.0821 -0.2029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5292 1.0306 -1.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5616 -0.0298 -2.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7842 1.7236 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7133 1.6657 0.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4395 0.6385 -2.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7814 0.2410 -3.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2725 -0.2088 -3.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1443 -0.0640 0.2655 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4798 0.0613 2.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2535 1.3643 1.6159 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1800 -0.7052 2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0303 -1.6627 1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 -1.3153 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2050 0.9196 1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8043 -2.1012 2.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1909 -0.8826 3.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 -1.5579 2.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0080 -0.6810 4.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1285 1.2441 1.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8480 1.7226 0.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1947 -0.4011 1.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2957 -2.9372 0.1127 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6531 -0.5139 -1.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2205 1.7767 0.5059 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1321 0.8544 -2.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5131 -1.1499 -2.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8765 1.2425 -1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8769 2.6031 -1.6380 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 24 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 16 2 1 0 32 22 1 0 20 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 1 19 55 1 0 20 56 1 1 22 57 1 1 24 58 1 1 27 59 1 0 28 60 1 6 29 61 1 0 30 62 1 6 31 63 1 0 32 64 1 6 33 65 1 0 M END