HMDB0041741 RDKit 3D Glycitein 7-O-glucuronide 53 56 0 0 0 0 0 0 0 0999 V2000 0.0182 -3.8118 -2.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7843 -2.7743 -1.4553 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1330 -1.6861 -0.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2370 -1.5964 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8605 -0.5044 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2378 -0.4207 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -1.3348 -0.7171 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8180 0.6657 0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2854 0.7819 0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0551 0.4912 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4313 0.5960 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1012 0.9939 0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4930 1.0953 0.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3376 1.2857 1.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9539 1.1804 1.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0065 1.6518 0.8686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7023 1.5691 0.8314 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1298 0.5248 0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2633 0.4104 0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9170 -0.6580 -0.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2881 -0.7538 -0.3782 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2443 0.1402 0.1004 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9508 -0.4740 1.0812 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1042 0.0768 1.5144 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1073 -0.9899 1.7532 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2758 -0.7455 2.1647 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7818 -2.3032 1.5270 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7281 1.1014 0.6200 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.2355 2.3809 0.8707 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4953 0.8111 -0.8392 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1077 -0.3773 -1.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0283 0.6843 -1.0502 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5161 1.9381 -1.4601 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7351 -3.3453 -2.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 -4.2555 -1.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6165 -4.5652 -2.5226 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8566 -2.3806 -1.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5259 0.1750 -1.6150 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0167 0.3606 -1.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0895 0.3210 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8746 1.5994 2.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3725 1.4141 2.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5186 2.5123 1.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7913 1.2618 0.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7344 1.0062 0.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9171 0.5721 2.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7103 -2.6331 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8257 1.1348 0.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9330 2.9934 1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8779 1.6846 -1.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8724 -0.2179 -1.8559 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8795 0.0233 -1.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0883 2.3902 -0.6712 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 2 0 6 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 12 14 1 0 14 15 2 0 8 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 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 20 3 1 0 32 22 1 0 18 5 2 0 15 9 1 0 1 34 1 0 1 35 1 0 1 36 1 0 4 37 1 0 10 38 1 0 11 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 16 43 1 0 19 44 1 0 22 45 1 1 24 46 1 1 27 47 1 0 28 48 1 6 29 49 1 0 30 50 1 6 31 51 1 0 32 52 1 6 33 53 1 0 M END