442428 -OEChem-07262210483D 73 77 0 1 0 0 0 0 0999 V2000 3.4624 -0.2826 0.7385 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 2.6065 0.1345 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7934 -1.0040 -1.0889 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3610 0.5491 -0.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0455 1.9975 1.7261 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3142 4.0186 2.8545 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7209 -1.8849 0.8525 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2513 -4.1258 1.6028 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7483 -4.5264 -0.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3582 4.6698 0.8555 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1781 -0.4935 -0.0639 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 1.6892 -4.2142 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3666 1.0009 -3.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9688 -2.5757 3.4000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 1.0941 0.4958 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6192 1.9255 1.6990 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0752 3.3519 1.6177 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7692 -0.6277 0.2922 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6720 1.2326 0.2491 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3339 -1.7469 1.1651 C 0 0 1 0 0 0 0 0 0 0 0 0 1.5721 3.3444 1.3292 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6060 -3.0660 0.9006 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5866 -3.3904 -0.5936 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0507 -2.1905 -1.3869 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0287 4.7554 1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1492 -2.4113 -2.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0556 0.5673 -1.3582 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9284 0.0247 -0.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2936 1.1294 -2.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 0.0536 -0.9287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6103 0.5978 -2.1696 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5030 0.0308 -0.2436 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6267 1.1430 -2.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9758 -0.1567 -1.6840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0193 0.5472 -2.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 -0.6659 0.7302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0712 0.0674 1.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6404 -2.0407 0.6289 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9244 -0.5750 2.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4936 -2.6829 1.5263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1355 -1.9500 2.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7023 1.4302 -0.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3149 1.4379 2.6334 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6147 3.9036 0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 0.2170 0.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1238 0.7670 1.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2650 -1.4950 2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0143 2.8811 2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 -3.0085 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5958 -3.6664 -0.9231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 -2.0210 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5061 5.2507 0.2755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1677 5.3743 2.0185 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1873 -2.5890 -3.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5373 -3.2557 -3.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8153 -1.5164 -3.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2950 2.5381 2.4950 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8343 3.5395 3.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8122 -1.9567 -0.1126 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7748 -4.9471 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8663 -4.8273 -1.7066 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4698 4.1112 0.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6647 -0.4297 0.4202 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4848 1.5490 -3.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4726 1.1035 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9763 0.2704 -1.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9962 -1.2088 -1.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9169 1.1392 1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1406 -2.6313 -0.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0873 2.0068 -4.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4218 0.0012 3.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6478 -3.7551 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9979 -3.5237 3.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 19 1 0 0 0 0 2 21 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 16 1 0 0 0 0 5 57 1 0 0 0 0 6 17 1 0 0 0 0 6 58 1 0 0 0 0 7 20 1 0 0 0 0 7 59 1 0 0 0 0 8 22 1 0 0 0 0 8 60 1 0 0 0 0 9 23 1 0 0 0 0 9 61 1 0 0 0 0 10 25 1 0 0 0 0 10 62 1 0 0 0 0 11 30 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 70 1 0 0 0 0 13 35 2 0 0 0 0 14 41 1 0 0 0 0 14 73 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 18 20 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 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 23 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 26 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 29 2 0 0 0 0 28 30 2 0 0 0 0 28 63 1 0 0 0 0 29 33 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 31 33 2 0 0 0 0 31 35 1 0 0 0 0 32 34 1 0 0 0 0 32 36 1 0 0 0 0 32 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 34 67 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 68 1 0 0 0 0 38 40 2 0 0 0 0 38 69 1 0 0 0 0 39 41 2 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 M END > DB16859 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DFPMSGMNTNDNHN-ZPHOTFPESA-N/SDF?record_type=3d > [H][C@@]1(O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC2=CC3=C(C(=O)C[C@H](O3)C3=CC=C(O)C=C3)C(O)=C2)O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O > InChI=1S/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26-,27+/m0/s1 > DFPMSGMNTNDNHN-ZPHOTFPESA-N > C27H32O14 > 580.539 > 580.17920571 > 14 > 73 > 0.0020599247303346607 > 57.385319547462544 > 0 > 8 > 0 > 0 > (2S)-7-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-5-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one > -0.24 > -0.15688572199999937 > -2.16 > 1 > 0 > 5 > 0 > 9.530199429609 > 8.579343855596708 > -2.981092569339441 > 225.05999999999997 > 134.30379999999997 > 6 > 0 > 4.06e+00 g/l > naringin > 0 $$$$