HMDB0061174 RDKit 3D p-Hydroxyl-ethotoin 28 29 0 0 0 0 0 0 0 0999 V2000 -3.9414 0.9205 -0.8617 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 0.1787 0.3995 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2384 -0.4166 0.2253 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9112 -1.7086 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7715 -2.5599 -0.6660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4959 -1.8226 -0.2547 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0135 -0.8516 0.6764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3291 -0.3333 0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6962 0.0403 -0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 0.5136 -1.1516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 0.6285 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2036 1.1163 -0.4259 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5413 0.2486 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2470 -0.2308 1.3566 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0245 0.2431 0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8011 1.4725 0.7121 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1615 1.6836 -1.1397 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0148 0.1835 -1.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8745 1.4755 -0.6704 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2699 -0.6605 0.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6113 0.8495 1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 -2.4762 -0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0771 -1.2046 1.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 -0.0502 -1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2770 0.8148 -2.1426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3009 2.1323 -0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2650 0.3306 1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9993 -0.5169 2.3713 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 4 5 2 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 7 15 1 0 15 16 2 0 15 3 1 0 14 8 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 2 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 10 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END