447688 -OEChem-10051720163D 79 81 0 1 0 0 0 0 0999 V2000 4.3581 -0.3381 0.4279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8144 0.2104 -0.3171 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8724 0.6259 -1.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9470 -1.2468 -0.7840 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5997 -2.7265 -1.0129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8027 -3.4417 -0.4246 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2696 -2.2829 1.0901 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5693 -0.6483 1.7347 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0149 2.1568 1.4587 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4029 2.6730 0.7531 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4886 3.2370 -1.8192 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4902 0.5995 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1332 -0.4952 -0.2834 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6948 -1.9584 -0.2182 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0702 0.4182 0.3317 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9345 -0.2808 1.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6622 0.8708 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2731 -2.1344 -0.7518 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4839 -0.5575 -0.4201 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3255 -0.0468 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6775 -1.1508 0.3301 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.1334 0.3187 1.8968 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8597 1.4685 -0.2283 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3172 -1.1133 -0.1350 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3271 -0.1259 1.2576 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.2930 0.5951 0.9450 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6111 1.1762 0.5060 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3712 1.6563 -0.2603 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0184 0.0873 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4315 1.8917 0.1733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8047 -0.4824 -0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4860 -0.2823 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6747 2.8647 -1.1418 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3079 -0.8472 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9959 -0.6909 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1626 1.5697 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2021 -1.3358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7837 -2.3432 0.8045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9490 0.2118 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1204 -0.4080 1.8864 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1995 -1.2828 0.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9678 -0.0628 -1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3492 1.5589 -1.7579 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2598 -2.0584 -1.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 -1.2733 -1.2072 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5342 -1.1027 -0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1941 0.4476 -1.7294 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4292 -1.4939 -0.3925 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4616 -0.3648 2.6880 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8321 1.2531 2.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6005 2.4696 0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6963 1.5903 -0.9255 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1951 -1.3202 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7063 0.0507 2.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6881 -0.3554 0.5658 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1080 1.0856 1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4501 1.0272 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5797 1.9444 0.4406 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1005 -0.4228 0.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8330 1.1470 0.2398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5079 2.1669 -0.8838 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3678 2.1302 0.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9643 -1.5532 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7318 -0.0056 -1.7017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3265 0.7869 0.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5453 -0.7748 1.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0253 3.7143 -0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4270 2.6162 -1.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 -0.3471 -1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4734 -1.9092 -0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0568 -1.2164 0.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 0.3702 0.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4714 -2.4766 -1.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8069 -3.5301 0.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8468 -2.9094 0.4783 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1386 -0.8260 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2651 2.3226 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6519 3.6060 0.6389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 4.0049 -2.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 28 1 0 0 0 0 4 24 1 0 0 0 0 4 35 1 0 0 0 0 5 14 1 0 0 0 0 5 73 1 0 0 0 0 6 18 1 0 0 0 0 6 74 1 0 0 0 0 7 21 1 0 0 0 0 7 75 1 0 0 0 0 8 25 1 0 0 0 0 8 76 1 0 0 0 0 9 27 1 0 0 0 0 9 77 1 0 0 0 0 10 30 1 0 0 0 0 10 78 1 0 0 0 0 11 33 1 0 0 0 0 11 79 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 20 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 14 18 1 0 0 0 0 14 38 1 0 0 0 0 15 30 1 0 0 0 0 15 39 1 0 0 0 0 16 22 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 23 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 24 1 0 0 0 0 18 44 1 0 0 0 0 19 21 1 0 0 0 0 19 45 1 0 0 0 0 20 29 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 22 26 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 26 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 53 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 33 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 34 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 33 67 1 0 0 0 0 33 68 1 0 0 0 0 34 35 1 0 0 0 0 34 69 1 0 0 0 0 34 70 1 0 0 0 0 35 71 1 0 0 0 0 35 72 1 0 0 0 0 M END > DB03472 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WUCWJXGMSXTDAV-QKMCSOCLSA-N/SDF?record_type=3d > [H][C@]1(CO)O[C@]([H])(O[C@]2([H])[C@@]([H])(CO)O[C@@]([H])(OCCCCCCC3CCCCC3)[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O > InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1 > WUCWJXGMSXTDAV-QKMCSOCLSA-N > C24H44O11 > 508.5996 > 508.28836225 > 11 > 79 > -1.900699229922346e-05 > 55.29359509107934 > 0 > 7 > 0 > 0 > (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-[(6-cyclohexylhexyl)oxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol > 0.66 > 0.19892450333333292 > -2.25 > 1 > 0 > 3 > 0 > 12.486202997409407 > 11.939975979773823 > -2.9810835652988272 > 178.52999999999997 > 121.91489999999995 > 12 > 0 > 2.89e+00 g/l > biotin > 0 $$$$