445750 -OEChem-10051720353D 33 33 0 1 0 0 0 0 0999 V2000 -1.5526 -0.8590 -0.2842 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0711 2.2963 -0.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6766 2.7385 0.4368 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1888 -2.4049 -0.2971 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2598 -0.6467 0.1161 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3783 0.5928 -1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0242 -0.3448 0.5084 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7442 -0.0782 -0.1147 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2355 1.3076 0.2936 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2076 1.5336 -0.1626 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0938 0.3533 0.2438 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2675 -1.1693 0.2521 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5148 0.4854 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2315 0.0165 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7046 -3.4652 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4037 -0.3558 0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 -0.0931 -1.2015 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3155 1.4503 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2238 1.6730 -1.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1516 0.2656 1.3373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3412 -1.2764 1.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5282 0.5167 -1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 1.3776 0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0242 -0.7591 1.4364 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0127 2.1918 -1.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5129 2.9793 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2566 -4.3980 -0.3485 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6610 -3.3336 -0.5093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8626 -3.5483 1.0852 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8074 -1.4365 -0.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3286 -0.2786 0.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4544 0.3249 1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3012 -1.3841 1.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 25 1 0 0 0 0 3 10 1 0 0 0 0 3 26 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 30 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 0 0 0 0 11 13 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 M END > DB04426 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/ZEVOCXOZYFLVKN-JGKVKWKGSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]([H])(OC)[C@]([H])(NC(C)=O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9-/m1/s1 > ZEVOCXOZYFLVKN-JGKVKWKGSA-N > C9H17NO6 > 235.2344 > 235.105587281 > 6 > 33 > -6.736959791571783e-06 > 22.47944746560472 > 1 > 4 > 0 > 0 > N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide > -1.77 > -2.5774479080000003 > 0.00 > 0 > 0 > 1 > 0 > 13.009755124237532 > 12.267521747116588 > -1.5714656009495018 > 108.25000000000001 > 51.77590000000001 > 3 > 1 > 2.37e+02 g/l > biotin > 0 $$$$