HMDB0255476 RDKit 3D L-3-(3-Hydroxy-4-pivaloyloxyphenyl)alanine 39 39 0 0 0 0 0 0 0 0999 V2000 -4.5032 -1.1232 -1.4004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9722 -0.2371 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6432 1.1056 -0.3871 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3154 -0.8326 1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4848 -0.1336 -0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8483 -0.7670 -1.2413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 0.6214 0.5309 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3651 0.7152 0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2649 1.6977 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6528 1.7717 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4371 0.8678 0.4512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.9196 0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5602 0.1147 -0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9866 0.2801 -0.4787 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2180 -1.3117 -0.6029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1156 -2.1652 -0.4420 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9049 -1.7600 -0.7491 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8148 -0.1083 1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4462 -0.1563 1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1829 -1.1420 1.9421 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7321 -2.1322 -0.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4447 -0.6917 -1.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8140 -1.2282 -2.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4783 1.0773 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1104 1.4055 0.5850 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9640 1.9231 -0.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6106 -1.6712 1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3435 -1.2073 1.0770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1650 -0.0775 1.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3592 2.3883 -0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1369 2.5428 -0.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2555 0.6208 1.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2128 1.9777 0.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 0.5907 -1.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3316 1.1604 -0.9123 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2637 0.3333 0.5375 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6679 -2.6899 -1.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3747 -0.8458 1.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2946 -1.8330 2.4914 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 15 17 1 0 11 18 1 0 18 19 2 0 19 20 1 0 19 8 1 0 1 21 1 0 1 22 1 0 1 23 1 0 3 24 1 0 3 25 1 0 3 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 9 30 1 0 10 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 17 37 1 0 18 38 1 0 20 39 1 0 M END