HMDB0060786 RDKit 3D 6-Hydroxymelatonin glucuronide 54 56 0 0 0 0 0 0 0 0999 V2000 -1.4416 -3.0238 -0.4107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -2.2309 -0.3195 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3842 -0.9508 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5982 -0.4816 0.5899 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7134 0.8093 1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8029 1.5123 1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 1.0603 1.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8812 1.0858 0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2534 0.6428 0.3931 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0681 0.5898 -0.7672 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4737 0.1326 -0.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6388 0.9167 -1.8876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2919 2.7538 1.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9675 2.7672 1.7187 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5799 1.5877 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6620 1.0905 0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7803 -0.1835 0.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9450 -0.7317 -0.1513 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2271 -0.2064 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6433 -0.0255 -1.5240 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9843 0.3773 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3473 1.2475 -2.5344 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4898 1.5309 -3.4090 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 1.7903 -2.6815 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7836 -0.9085 -1.3610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5187 -1.5879 -2.5577 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2295 -1.7297 -0.2220 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3079 -2.0770 0.5923 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2370 -0.9758 0.6173 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5519 -1.9082 1.3959 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 -4.0739 -0.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1623 -2.5596 -1.1183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9355 -3.0073 0.6003 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5162 -1.0555 0.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3104 0.0657 2.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7556 1.7825 2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3090 0.3956 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8402 2.1421 -0.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6256 0.3668 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8314 -0.2103 -1.6236 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1075 0.9177 -0.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4447 -0.7805 0.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 3.5624 2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2982 3.5554 1.8984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5070 1.7279 0.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.8241 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1577 0.9079 -0.4414 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2334 1.3148 -3.3354 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 -0.7434 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4353 -0.9042 -3.2924 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 -2.6870 -0.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2963 -1.5656 1.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7857 -0.3230 1.3278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2506 -2.5260 1.7652 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 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 10 12 2 0 6 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 21 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 17 3 1 0 29 19 1 0 15 5 2 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 11 40 1 0 11 41 1 0 11 42 1 0 13 43 1 0 14 44 1 0 16 45 1 0 19 46 1 0 21 47 1 0 24 48 1 0 25 49 1 0 26 50 1 0 27 51 1 0 28 52 1 0 29 53 1 0 30 54 1 0 M END