HMDB0303338 RDKit 3D Pallidol 56 61 0 0 0 0 0 0 0 0999 V2000 6.1910 2.5973 0.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9817 1.9491 -0.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6797 1.3543 -1.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4862 0.7348 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 0.6474 -0.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2595 -0.0270 -0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2096 -1.5037 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -2.5526 -1.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8180 -2.3470 -2.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7026 -3.8508 -0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8042 -4.0917 0.3687 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 -5.4076 0.8138 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1254 -3.0482 0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3000 -1.7109 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -0.4622 0.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6034 -0.1098 1.1962 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 -0.5980 0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2124 0.1839 -0.6397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2247 -0.2615 -1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7090 -1.5423 -1.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7328 -1.9897 -2.1485 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1751 -2.3580 -0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1497 -1.8715 0.4914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 1.4030 1.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0925 2.4236 1.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0878 2.1933 2.6708 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7201 3.7261 1.4820 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7394 4.0041 0.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3614 5.3274 0.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1021 2.9643 -0.0602 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4245 1.6515 0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0133 0.3870 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8573 1.2594 0.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0732 1.9062 0.8268 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9557 2.0266 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4437 1.4258 -2.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2902 0.2859 -2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 -0.0593 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3213 -3.0845 -2.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -4.6852 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0849 -6.1650 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5784 -3.2699 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3747 -0.0869 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8051 -0.2730 2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8815 1.1991 -0.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6679 0.3431 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 -2.8959 -2.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5524 -3.3528 -0.2074 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7947 -2.5735 1.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5411 2.9513 3.1313 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2086 4.5490 1.9786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8468 5.8227 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6765 3.2389 -0.7684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8361 -0.0049 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1922 1.2613 1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2852 2.3669 1.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 20 22 1 0 22 23 2 0 16 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 28 30 1 0 30 31 2 0 31 32 1 0 5 33 1 0 33 34 2 0 34 2 1 0 32 6 1 0 14 7 1 0 32 15 1 0 23 17 1 0 31 24 1 0 1 35 1 0 3 36 1 0 4 37 1 0 6 38 1 0 9 39 1 0 10 40 1 0 12 41 1 0 13 42 1 0 15 43 1 0 16 44 1 0 18 45 1 0 19 46 1 0 21 47 1 0 22 48 1 0 23 49 1 0 26 50 1 0 27 51 1 0 29 52 1 0 30 53 1 0 32 54 1 0 33 55 1 0 34 56 1 0 M END