HMDB0013816 RDKit 3D 2,4-Di-tert-butylphenol 37 37 0 0 0 0 0 0 0 0999 V2000 2.4249 -1.8202 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5238 -0.5691 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6379 0.2731 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0410 -0.9122 -1.3985 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2950 0.2331 -0.0248 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3797 1.6046 -0.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2903 2.4282 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9712 1.8305 -0.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1224 2.6099 0.0058 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1321 0.4638 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4560 -0.1420 -0.0233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 0.2663 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2197 0.2677 -1.2438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4303 -1.6707 0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 -0.3065 -0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1252 -1.8380 1.6809 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7315 -2.7088 0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4055 -1.9931 1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3232 0.7055 1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0855 0.9743 -0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -0.4592 0.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8854 -0.0485 -2.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1535 -1.0556 -1.3400 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5830 -1.8581 -1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 2.0859 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 3.5269 0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0148 3.6123 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7722 0.1326 2.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 -0.4476 1.2042 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7464 1.2693 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1793 -0.5474 -2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8565 1.2299 -1.6494 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2945 0.3990 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1929 -2.0464 -0.9954 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7278 -2.0793 0.7456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4680 -2.0062 0.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0373 -1.4038 -0.0453 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 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 11 14 1 0 10 15 2 0 15 5 1 0 1 16 1 0 1 17 1 0 1 18 1 0 3 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 4 24 1 0 6 25 1 0 7 26 1 0 9 27 1 0 12 28 1 0 12 29 1 0 12 30 1 0 13 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 M END