448009 -OEChem-10051720313D 28 27 0 0 0 0 0 0 0999 V2000 3.6161 1.0327 -0.7372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6527 0.9239 -0.7459 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1129 -3.3501 0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0813 1.2141 1.5833 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0134 0.4493 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2385 0.9011 -0.4782 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2705 0.8090 -0.5141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0348 -1.0514 0.7082 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5952 0.5785 0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 0.5159 0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0390 -2.0230 -0.4691 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1923 1.9853 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 0.4600 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2351 0.3015 -1.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2473 1.8793 -0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9073 -1.2621 1.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8188 -1.3043 1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7505 1.0348 2.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8647 0.8927 2.1503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7318 -0.4973 0.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7261 1.0832 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7468 1.0701 1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 -0.5525 0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9066 -1.8679 -1.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 -1.9432 -1.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4684 0.8183 -0.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4985 0.7242 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6803 -3.5013 0.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 26 1 0 0 0 0 2 10 1 0 0 0 0 2 27 1 0 0 0 0 3 11 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 M END > DB04237 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GKODZWOPPOTFGA-UHFFFAOYSA-N/SDF?record_type=3d > NC(CCO)(CCO)CCO > InChI=1S/C7H17NO3/c8-7(1-4-9,2-5-10)3-6-11/h9-11H,1-6,8H2 > GKODZWOPPOTFGA-UHFFFAOYSA-N > C7H17NO3 > 163.2148 > 163.120843415 > 4 > 28 > 0.9976816621472331 > 17.90614054978867 > 1 > 4 > 0 > 0 > 3-amino-3-(2-hydroxyethyl)pentane-1,5-diol > -1.56 > -2.532349900666667 > 0.25 > 0 > 1 > 0 > 1 > 15.915547807473471 > 15.438239526805653 > 9.633815003996567 > 86.71000000000001 > 42.951699999999995 > 6 > 1 > 2.91e+02 g/l > tetrahydrofolic acid > 0 $$$$