HMDB0000901 RDKit 3D Valproic acid glucuronide 46 46 0 0 0 0 0 0 0 0999 V2000 -4.6989 1.7370 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4240 1.5931 0.7377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 1.6066 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1203 0.6040 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2640 -0.8340 0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5036 -1.5536 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1904 -3.0540 0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6386 0.9134 0.5754 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2880 1.9101 1.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3508 0.1104 0.0497 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7197 0.3932 0.2553 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2760 0.6850 -0.9635 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6530 0.7383 -0.9742 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1238 1.3110 -2.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2942 1.6764 -3.1283 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4631 1.4977 -2.5502 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 -0.6855 -0.7463 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4852 -0.8261 -0.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7817 -0.9822 0.7108 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1410 -2.3111 1.0126 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3628 -0.7049 1.0243 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2307 -0.4663 2.4122 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5569 2.4327 -0.9361 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8160 2.0674 -1.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0128 0.7513 -1.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8258 2.5634 1.2233 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9577 0.7482 1.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7534 1.6982 2.1175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6057 2.6354 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2226 0.8051 -0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4373 -1.3259 -0.0776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9814 -1.1625 1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 -1.2996 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7666 -1.5295 -0.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7496 -3.0384 1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3862 -3.3264 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0988 -3.6531 0.4079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7664 1.3142 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 1.3909 -0.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9731 2.3429 -2.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5406 -1.3943 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6071 -1.4912 -1.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 -0.3475 1.3244 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4243 -2.4160 1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7786 -1.6402 0.8489 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0927 0.5163 2.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 4 8 1 0 8 9 2 0 8 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 21 11 1 0 1 23 1 0 1 24 1 0 1 25 1 0 2 26 1 0 2 27 1 0 3 28 1 0 3 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 7 37 1 0 11 38 1 1 13 39 1 1 16 40 1 0 17 41 1 6 18 42 1 0 19 43 1 1 20 44 1 0 21 45 1 1 22 46 1 0 M END