HMDB0245315 RDKit 3D 2-Sec-Butylphenol 25 25 0 0 0 0 0 0 0 0999 V2000 -1.8386 -0.0048 1.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9659 -0.4899 0.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0216 0.3027 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2251 -0.2573 -1.9460 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3760 0.1266 -0.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8218 -1.0465 0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1501 -1.2216 0.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0725 -0.2423 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6535 0.9366 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3161 1.0900 -0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9434 2.2842 -1.0061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 -0.8303 2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7301 0.6604 2.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9294 0.5811 1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7792 -1.5655 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0207 -0.3215 0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3696 1.3343 -0.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3543 -0.8903 -2.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3221 0.5412 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0978 -0.9447 -1.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1307 -1.8426 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5293 -2.1322 1.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 -0.3407 0.6796 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3521 1.7006 -0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 2.5727 -1.2747 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 10 5 1 0 1 12 1 0 1 13 1 0 1 14 1 0 2 15 1 0 2 16 1 0 3 17 1 0 4 18 1 0 4 19 1 0 4 20 1 0 6 21 1 0 7 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 M END