HMDB0029825 RDKit 3D 2,3-Diisopropyl-5-methylphenol 34 34 0 0 0 0 0 0 0 0999 V2000 0.5174 3.9061 -0.1625 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1607 2.4647 -0.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1733 2.1367 -0.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5652 0.8205 -0.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9045 0.5270 -0.5643 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6664 -0.1846 -0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2595 -1.5258 0.1789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4851 -2.2583 -1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4036 -1.4419 1.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6725 0.0993 0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5705 -0.9548 0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0185 -1.8799 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 -0.1738 0.8086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0576 1.4587 0.0768 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1931 4.4587 0.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5450 4.0051 0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3936 4.3761 -1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8671 2.9258 -0.6204 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 1.2233 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4640 -2.1241 0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3061 -1.5986 -2.0132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9071 -3.1777 -1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5807 -2.5702 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0944 -1.8082 2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2813 -2.0099 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6841 -0.3613 1.3873 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3989 -1.4771 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3348 -1.7199 -1.3958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0464 -1.7688 -0.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9517 -2.9505 -0.1886 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9153 0.4420 1.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0991 0.3167 -0.2019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 -0.9632 0.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0753 1.7879 0.2354 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 1 0 4 6 2 0 6 7 1 0 7 8 1 0 7 9 1 0 6 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 10 14 2 0 14 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 5 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 11 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 M END