HMDB0060511 RDKit 3D SN38 glucuronide 69 74 0 0 0 0 0 0 0 0999 V2000 0.5718 -1.9239 -2.9404 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7036 -2.3016 -1.4721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 -1.2087 -0.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3076 -1.1729 -0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 -0.1728 0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2180 0.7829 0.6998 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 0.7877 0.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8836 1.7414 1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 1.7535 1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9487 0.7600 0.5193 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3096 0.7595 0.4626 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1817 -0.1240 -0.1728 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9371 -0.7892 0.7670 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1273 -0.2420 1.0966 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4644 -0.4244 2.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6794 -1.0317 3.3221 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6434 0.0673 3.0862 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2829 1.2063 0.6731 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5320 1.6284 1.1293 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2494 1.1615 -0.8493 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4718 2.4186 -1.3978 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9725 0.5355 -1.2621 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2140 -0.3238 -2.3374 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1744 -0.1974 -0.0986 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7794 -0.2233 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3967 -0.3525 0.0046 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4445 0.3614 0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7413 -0.0207 0.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9733 -1.1539 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8818 -1.8246 -0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1064 -2.8633 -1.6456 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 -1.4497 -0.7354 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3806 -2.0420 -1.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3672 -1.6260 -0.7229 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1679 -1.3465 0.4168 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0096 -0.1857 1.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8416 0.0362 2.0752 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8994 0.7534 0.8822 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4669 1.3759 2.0529 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2864 1.7747 -0.1476 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4490 2.6265 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1940 -0.8917 -3.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5531 -2.0733 -3.4356 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1884 -2.5921 -3.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0579 -3.2072 -1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7077 -2.5836 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3391 2.5203 1.8215 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8242 2.5231 1.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5814 -0.9072 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9371 -0.8023 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5449 -0.3016 2.7534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4594 1.8479 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2534 1.4682 0.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0868 0.4694 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1652 2.3844 -2.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3145 1.3502 -1.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 -1.0339 -2.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 -1.0018 -0.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2401 1.2338 1.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 -2.0800 -2.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2211 -3.0627 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7990 -1.0965 -1.6058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3797 -2.7142 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1098 0.7554 2.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4730 1.2531 -1.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4173 2.4628 -0.2809 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4585 3.5374 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4103 2.0864 0.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2735 2.9255 1.3391 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 14 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 10 24 1 0 24 25 2 0 5 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 29 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 1 38 40 1 0 40 41 1 0 25 3 1 0 32 26 1 0 33 4 1 0 25 7 1 0 38 28 1 0 22 12 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 8 47 1 0 9 48 1 0 12 49 1 6 14 50 1 6 17 51 1 0 18 52 1 1 19 53 1 0 20 54 1 6 21 55 1 0 22 56 1 6 23 57 1 0 24 58 1 0 27 59 1 0 33 60 1 0 33 61 1 0 34 62 1 0 34 63 1 0 39 64 1 0 40 65 1 0 40 66 1 0 41 67 1 0 41 68 1 0 41 69 1 0 M END