HMDB0060920 RDKit 3D 2-Hydroxyibuprofen 34 34 0 0 0 0 0 0 0 0999 V2000 4.1960 -0.5457 0.8582 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3713 -0.3978 -0.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7209 0.8582 -1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2423 0.8584 -2.2619 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4922 2.1140 -0.5493 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9178 -0.4763 -0.1106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3199 0.4722 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0461 0.4063 0.9767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8159 -0.6164 0.4657 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2715 -0.7542 0.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1012 -0.0298 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7350 1.4549 -0.2730 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5613 -0.1216 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8987 -0.5024 -1.5749 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 -1.5685 -0.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -1.5019 -0.6255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7083 -0.0787 1.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1931 -0.0635 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3934 -1.6126 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6745 -1.2419 -1.0673 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3194 2.5861 -0.1792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9269 1.2761 1.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5208 1.1502 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5910 -1.8179 0.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -0.3439 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6538 1.5369 -0.5110 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8741 1.8816 0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3008 2.0181 -1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1375 -0.7358 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0532 0.8768 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6647 -0.6147 1.0606 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5134 0.1580 -2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7650 -2.3705 -0.7481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6165 -2.2536 -1.2537 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 11 12 1 0 11 13 1 0 11 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 10 25 1 0 12 26 1 0 12 27 1 0 12 28 1 0 13 29 1 0 13 30 1 0 13 31 1 0 14 32 1 0 15 33 1 0 16 34 1 0 M END