44263483 -OEChem-10051721153D 38 40 0 1 0 0 0 0 0999 V2000 -1.1704 0.7846 0.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5144 -0.5411 -1.3040 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5802 -2.8103 -0.0773 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3046 -1.8938 0.3647 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6907 0.8384 -0.4728 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 3.4810 0.1883 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8486 -0.2018 -1.4699 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8029 -0.5247 0.1054 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9180 -1.5247 0.4375 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2557 -1.0716 -0.1495 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5533 0.3741 0.2503 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3613 1.2871 -0.0477 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5240 -0.8949 0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 -0.3892 -0.3275 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 2.6980 0.4882 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -0.1557 -0.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4280 -0.4085 1.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6728 0.3176 -1.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7884 -0.1879 1.3704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0332 0.5381 -0.9208 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5909 0.2854 0.3325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0272 -1.6209 1.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2723 -1.1978 -1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8068 0.4153 1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1911 1.3666 -1.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6956 -1.9698 0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6745 -0.3908 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7063 2.6868 1.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4651 3.1654 0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9476 -3.2218 0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2998 -1.8207 1.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4756 0.8108 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6088 4.3723 0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8392 -0.7863 1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2632 0.5229 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2237 -0.3867 2.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6585 0.9066 -1.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6502 0.4567 0.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 9 1 0 0 0 0 3 30 1 0 0 0 0 4 10 1 0 0 0 0 4 31 1 0 0 0 0 5 11 1 0 0 0 0 5 32 1 0 0 0 0 6 15 1 0 0 0 0 6 33 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 24 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 21 2 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 M END > DB08151 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YLTDNVVQKRHCJP-RKQHYHRCSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@@]2(CC(=NO2)C2=CC=CC=C2)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C14H17NO6/c16-7-10-11(17)12(18)13(19)14(20-10)6-9(15-21-14)8-4-2-1-3-5-8/h1-5,10-13,16-19H,6-7H2/t10-,11-,12+,13-,14-/m1/s1 > YLTDNVVQKRHCJP-RKQHYHRCSA-N > C14H17NO6 > 295.2879 > 295.105587281 > 7 > 38 > 1.6711026067317528e-05 > 29.44063065350311 > 1 > 4 > 0 > 1 > (5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-phenyl-1,6-dioxa-2-azaspiro[4.5]dec-2-ene-8,9,10-triol > -0.70 > -0.32297957700000024 > -1.51 > 0 > 0 > 3 > 0 > 13.148403181537567 > 12.047232280472583 > 2.425119181850672 > 111.74000000000001 > 70.67480000000002 > 2 > 1 > 9.04e+00 g/l > tetrahydrofolic acid > 0 $$$$