17754184 -OEChem-10051719463D 69 70 0 1 0 0 0 0 0999 V2000 0.3002 0.5912 0.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5816 1.1732 -0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4226 -0.9896 0.8185 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4722 1.1585 -2.6036 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2898 3.0537 -1.3184 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9429 3.8198 0.4142 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5902 1.8434 1.7021 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8519 -2.8814 -0.9053 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4653 -0.3312 1.3410 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5788 -2.2060 -0.6468 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 -3.0223 -1.1319 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2344 1.6247 -0.2320 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9094 0.7755 -0.6504 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8697 2.0404 -1.6573 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6349 1.8502 -1.7063 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2955 -0.5694 -1.2477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 0.3776 1.0276 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0815 2.7567 0.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2080 0.4789 1.5703 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5941 -1.6624 -0.2129 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2075 -0.2416 0.6676 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7269 -1.6608 0.3579 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2692 -1.6607 -0.1219 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7764 -1.3122 0.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0757 -1.0890 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7197 -3.0751 -0.2858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2259 -0.7044 0.8508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5312 -0.5099 0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6861 -0.1582 1.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0111 0.0775 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1560 0.4528 1.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6834 1.1206 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1971 3.0557 -1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0055 1.5772 -2.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1328 -0.4594 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4648 -0.9349 -1.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1425 0.7126 1.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0552 3.1363 0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3160 2.4776 1.8133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2520 0.0274 2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7057 -1.8311 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3894 0.3287 -0.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8310 -2.2893 1.2508 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1919 -1.1486 -1.0906 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5453 -0.4357 1.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9385 -2.1462 1.3955 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1820 1.4385 -3.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2471 2.8831 -1.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3397 -1.9973 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9533 -0.2830 -0.8134 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4145 -3.5000 0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4507 -3.7372 -0.7591 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8128 4.5338 1.0613 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9360 2.2768 2.2763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9735 0.2194 1.3853 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3618 -1.4885 1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0199 -3.5681 -0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 -0.8249 2.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4667 -1.6769 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7758 -1.4262 -0.4750 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4042 0.2891 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8176 -0.9656 1.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4267 0.7438 1.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2449 -3.9292 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8812 0.8761 -0.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2861 -0.8277 -0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3400 -0.3397 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0753 0.6082 0.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9318 1.3766 1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 47 1 0 0 0 0 5 15 1 0 0 0 0 5 48 1 0 0 0 0 6 18 1 0 0 0 0 6 53 1 0 0 0 0 7 19 1 0 0 0 0 7 54 1 0 0 0 0 8 20 1 0 0 0 0 8 57 1 0 0 0 0 9 21 1 0 0 0 0 9 58 1 0 0 0 0 10 22 1 0 0 0 0 10 59 1 0 0 0 0 11 26 1 0 0 0 0 11 64 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 20 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 23 26 1 0 0 0 0 23 44 1 0 0 0 0 24 25 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 31 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 M END > DB01998 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/IMFJFQAURAFEAH-ZLSOQEJISA-N/SDF?record_type=3d > [H][C@@](O)(CCCCCCC)C[C@@]1([H])O[C@@](CO)(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C20H38O11/c1-2-3-4-5-6-7-11(23)8-12-15(25)18(28)20(10-22,30-12)31-19-17(27)16(26)14(24)13(9-21)29-19/h11-19,21-28H,2-10H2,1H3/t11-,12-,13-,14-,15-,16+,17-,18+,19-,20+/m1/s1 > IMFJFQAURAFEAH-ZLSOQEJISA-N > C20H38O11 > 454.5091 > 454.241412058 > 11 > 69 > -2.25377529031087e-05 > 47.58990294370546 > 0 > 8 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2S,3S,4S,5R)-3,4-dihydroxy-2-(hydroxymethyl)-5-[(2R)-2-hydroxynonyl]oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > -0.81 > -1.3069344800000002 > -1.48 > 0 > 0 > 2 > 0 > 12.400815309480668 > 11.848674462502135 > -2.723323316838604 > 189.52999999999997 > 105.58729999999998 > 12 > 0 > 1.50e+01 g/l > biotin > 0 $$$$