HMDB0060565 RDKit 3D 1-Hydroxyibuprofen 34 34 0 0 0 0 0 0 0 0999 V2000 -3.8377 0.8431 -1.1419 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4428 -0.0611 0.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8103 0.6535 1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0122 1.0107 2.1377 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 0.9440 1.4338 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0053 -0.3332 -0.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1395 0.7475 -0.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2401 0.6103 -0.1175 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.6422 -0.3163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2094 -0.8890 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4613 -1.6677 -1.5665 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 0.2608 -0.2748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0268 0.9432 1.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5539 -0.2724 -0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0831 -1.7149 -0.4079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4507 -1.5743 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8416 0.5386 -1.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1338 0.7143 -1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8525 1.8922 -0.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0611 -0.9758 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5195 1.8789 1.5290 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5144 1.7528 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8515 1.4993 -0.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -1.5985 0.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2194 -2.6078 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0258 1.0464 -1.0437 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9785 0.7905 1.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9133 2.0325 1.0098 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1814 0.5065 1.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 0.5573 -0.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 -0.7618 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5385 -0.9897 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3029 -2.7123 -0.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1037 -2.4216 -0.3820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 2 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 1 0 9 15 1 0 15 16 2 0 16 6 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 5 21 1 0 7 22 1 0 8 23 1 0 10 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 13 28 1 0 13 29 1 0 14 30 1 0 14 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 M END