131204 -OEChem-10051722313D 33 32 0 1 0 0 0 0 0999 V2000 1.1437 -2.2261 -0.4480 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2891 2.1521 -0.0770 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2801 -1.1191 1.5659 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0648 -0.2478 -1.0108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9940 0.5350 0.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2639 -0.0675 -0.2554 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9239 -0.8193 -0.5106 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0633 1.4669 -0.3104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2753 -0.4776 -1.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8706 -0.4650 1.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1740 -0.5078 0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 1.0294 0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3980 0.3094 0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8311 0.4371 -0.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5553 -0.5996 -1.5196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3495 1.8143 0.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6907 1.7733 -1.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 -1.5559 -1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2404 0.0242 -1.2201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8993 -0.2170 -2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8520 -0.0019 1.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0313 -1.5446 1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2311 -0.1516 1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8291 0.9825 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 2.0996 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 0.9170 1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 -2.4755 0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3087 -0.7545 0.8701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1847 0.7070 1.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4692 2.1206 0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 1.4842 -1.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1024 -0.0164 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7211 0.1799 -0.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 27 1 0 0 0 0 2 8 1 0 0 0 0 2 30 1 0 0 0 0 3 11 2 0 0 0 0 4 14 1 0 0 0 0 4 33 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 12 13 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M END > DB09357 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/SNPLKNRPJHDVJA-ZETCQYMHSA-N/SDF?record_type=3d > CC(C)(CO)[C@@H](O)C(=O)NCCCO > InChI=1S/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m0/s1 > SNPLKNRPJHDVJA-ZETCQYMHSA-N > C9H19NO4 > 205.2515 > 205.131408101 > 4 > 33 > -2.0721060667619902e-06 > 21.87326409563999 > 1 > 4 > 0 > 0 > (2R)-2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide > -1.00 > -1.7005134243333335 > -0.23 > 0 > 0 > 0 > 0 > 15.016110435805928 > 12.685869948391622 > -2.390706370314997 > 89.79 > 51.8848 > 6 > 1 > 1.21e+02 g/l > tetrahydrofolic acid > 0 $$$$