HMDB0029821 RDKit 3D 2,5-Diisopropyl-4-methylphenol 34 34 0 0 0 0 0 0 0 0999 V2000 -1.1314 -2.3468 -0.9927 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 -1.0700 -0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9256 -0.9890 -0.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4821 0.1538 0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9556 0.2398 0.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7335 1.0406 -0.7254 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5102 -1.2094 0.0580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6510 1.1957 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2343 2.3446 0.8187 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6974 1.1340 0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3243 -0.0158 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7364 -0.1032 -0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6078 -0.2962 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 1.4385 -0.9924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3400 -3.1422 -0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8436 -2.6803 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5822 -2.4261 -1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5060 -1.8539 -0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1254 0.5457 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9065 2.0975 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2419 1.0048 -1.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7493 0.5959 -0.8272 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0505 -1.8783 0.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 -1.4163 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6159 -1.1263 0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6227 3.1948 1.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2491 2.0390 0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0273 -0.6185 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 0.3507 0.4754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0681 -1.3356 0.5425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0995 -0.0990 1.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4501 1.8286 -1.7205 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1456 1.9609 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1771 1.4421 -1.3116 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 5 6 1 0 5 7 1 0 4 8 2 0 8 9 1 0 8 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 1 0 11 2 1 0 1 15 1 0 1 16 1 0 1 17 1 0 3 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 7 24 1 0 7 25 1 0 9 26 1 0 10 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 M END