HMDB0242455 RDKit 3D (2-((3,5-Di-t-butyl-4-hydroxyphenyl)thio)-1-methylpropoxy)acetic acid 57 57 0 0 0 0 0 0 0 0999 V2000 4.4764 1.9863 -0.5213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5607 0.7402 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7544 0.7280 0.6255 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9852 -0.3089 1.4900 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3289 -0.3365 2.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -1.2761 2.9006 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2811 0.6164 1.8562 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8845 0.6840 -1.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0109 0.5360 -2.8509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7147 -0.6042 -2.0670 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1910 -0.4979 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 0.3124 -1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0641 0.3829 -0.9647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1665 1.2473 -1.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4048 0.4889 -1.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4909 2.3528 -0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6727 1.9398 -2.7193 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3112 -0.3550 0.2008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5392 -0.2307 0.7984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2844 -1.1521 0.6497 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5062 -1.9590 1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7945 -0.9784 3.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2632 -2.7340 2.2682 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6603 -2.9239 1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0595 -1.2153 -0.0301 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2318 2.5958 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5260 1.6806 -0.6205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2480 2.6068 -1.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2300 -0.1714 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1872 -0.3189 2.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8612 -1.3013 0.9737 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7060 1.0814 2.6676 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 1.7170 -2.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1926 -0.5540 -2.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5974 0.8993 -3.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9197 1.0540 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6741 0.8839 -2.5210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3372 -0.5432 -1.3766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5735 0.4846 -2.8825 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2705 0.9771 -1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 2.8008 -0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1963 2.0316 0.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9977 3.1522 -1.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8745 2.6651 -2.4882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5203 2.5608 -3.1335 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4247 1.2139 -3.5081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9075 -0.6540 1.6028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9038 0.0676 2.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 -1.2480 3.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9204 -0.9629 3.7242 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5124 -3.3701 3.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0264 -3.4350 1.4653 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5170 -1.9864 2.5127 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2299 -3.9440 1.6255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2067 -2.7554 0.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3495 -2.8080 2.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 -1.8632 0.3683 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 2 0 5 7 1 0 2 8 1 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 1 0 14 17 1 0 13 18 2 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 21 24 1 0 20 25 2 0 25 11 1 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 4 30 1 0 4 31 1 0 7 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 9 36 1 0 12 37 1 0 15 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 17 46 1 0 19 47 1 0 22 48 1 0 22 49 1 0 22 50 1 0 23 51 1 0 23 52 1 0 23 53 1 0 24 54 1 0 24 55 1 0 24 56 1 0 25 57 1 0 M END