6917864 -OEChem-10051722073D 55 58 0 1 0 0 0 0 0999 V2000 -2.0783 -0.5840 -1.6753 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4744 -1.8367 0.8762 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 -0.3740 0.1966 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4026 -1.8635 -1.4826 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0316 0.9289 -0.4218 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5919 -0.1372 1.5450 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6395 -0.8852 0.8859 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9417 0.2705 -0.9416 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1195 0.1517 -0.4241 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6213 0.1036 0.0016 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6774 1.5972 -0.7831 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9681 1.1533 1.0907 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1555 -0.4616 0.6243 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0470 2.6035 0.3186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1654 1.6177 -1.1332 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1030 -1.3038 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5304 2.5534 0.6515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9464 -2.4793 -0.3115 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4864 -2.4843 -0.3313 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6629 0.9573 -0.0208 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4636 1.1842 1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 3.0177 -1.4754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4129 -3.9099 -0.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8975 0.3470 0.4642 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2975 0.4017 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3298 -0.2998 0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6977 -0.2686 0.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2077 0.3558 -0.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2138 1.9007 -1.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4288 0.8998 2.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2338 0.0526 1.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 3.6233 -0.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 2.4211 1.2310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 1.0140 -2.0433 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1924 -1.3622 0.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9127 -1.4467 1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7396 3.2776 1.4483 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1114 2.8716 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8618 -3.3929 0.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8590 -2.5076 -1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5929 1.5299 0.9125 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6844 1.9877 2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0698 1.3513 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7892 0.2486 1.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3518 2.9637 -1.9222 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 3.5098 -2.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4260 3.6525 -0.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7352 -4.4648 -1.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3163 -3.9084 -0.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7333 -4.4482 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5708 1.4561 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2731 -0.0696 -1.0988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0440 -1.3466 0.9171 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3892 0.1920 1.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5259 -0.8497 0.4674 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 18 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 4 18 1 0 0 0 0 5 20 1 0 0 0 0 5 24 1 0 0 0 0 6 24 2 0 0 0 0 7 27 1 0 0 0 0 7 55 1 0 0 0 0 8 27 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 28 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 29 1 0 0 0 0 12 17 1 0 0 0 0 12 21 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 15 34 1 0 0 0 0 16 19 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 M END > DB09274 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FIHJKUPKCHIPAT-AHIGJZGOSA-N/SDF?record_type=3d > [H][C@@]12CC[C@@H](C)[C@]3([H])CC[C@@]4(C)OO[C@@]13[C@]([H])(O[C@@H](OC(=O)CCC(O)=O)[C@@H]2C)O4 > InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1 > FIHJKUPKCHIPAT-AHIGJZGOSA-N > C19H28O8 > 384.425 > 384.178417862 > 7 > 55 > 39.46300362523707 > 1 > 1 > 0 > 1 > 4-oxo-4-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0⁴,¹³.0⁸,¹³]hexadecan-10-yl]oxy}butanoic acid > 2.35 > 3.104253674 > -2.75 > 0 > 4 > -1 > 3.768142988199547 > -4.177948164471451 > 100.52000000000001 > 89.95409999999997 > 5 > 1 > 6.78e-01 g/l > artesunate > 0 $$$$