9852585 -OEChem-10061700303D 80 84 0 1 0 0 0 0 0999 V2000 1.5547 -1.6469 1.0454 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7831 -2.8073 0.1498 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3035 -4.4752 -0.5835 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8931 -4.9150 0.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1405 -3.6250 1.3560 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5669 0.4091 1.4842 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0844 -0.7216 0.8584 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3505 -3.0119 0.8052 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5062 -1.0010 -1.1124 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5720 -2.4474 -3.3886 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3072 2.7115 -0.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 0.0618 2.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3976 0.6094 3.1290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2804 3.8276 0.1891 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 3.6060 -0.2453 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9855 3.1419 -2.9851 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6196 5.1649 -0.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6061 -2.8943 0.3509 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8063 -3.7120 0.8341 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1031 -2.9184 0.6740 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9697 -1.5149 1.2650 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1533 -2.3884 0.3375 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0418 -3.4358 0.3658 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3635 -1.8531 -1.0798 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5607 -2.9982 -2.0738 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6919 -0.8279 0.7832 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2886 -3.6187 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4230 -4.0191 -1.9348 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6526 -5.2531 -2.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4348 1.0959 1.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4191 1.9805 0.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1839 0.8554 1.8615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9959 1.6242 1.4361 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8713 2.5161 0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 2.2864 -0.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2229 1.4672 2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9749 3.2586 -0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 2.8073 -0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6123 2.0548 -2.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3254 2.2105 1.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2019 3.1045 0.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8884 3.0963 -0.8573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 2.3443 -2.8488 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8841 2.8649 -2.2328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5653 3.2329 0.3655 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5029 3.7534 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6746 -2.6908 -0.7264 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6764 -3.9972 1.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 -2.8728 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9934 -1.5556 2.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9313 -1.5540 1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0478 -3.9128 1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5038 -1.2427 -1.3838 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5356 -3.4716 -1.9081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7596 -0.6235 -0.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1666 -3.7876 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 -4.5832 0.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4699 -3.5725 -2.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5751 -5.7681 -2.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7139 -4.9926 -3.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8361 -5.9710 -2.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9938 -4.6727 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9084 -3.6668 2.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -0.6599 -0.1121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1993 -3.2850 1.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3550 -0.2850 -0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7004 -2.0504 -3.5565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8814 3.9557 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 2.9977 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7346 1.6462 -2.5841 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 2.0881 2.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 2.1579 -3.9193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5759 0.1312 3.3177 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5273 2.1406 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 3.5119 1.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8152 3.6982 0.7064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7994 2.9183 -3.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4960 3.3062 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1052 3.5410 -1.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2243 5.4667 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 26 1 0 0 0 0 2 23 1 0 0 0 0 2 27 1 0 0 0 0 3 23 1 0 0 0 0 3 28 1 0 0 0 0 4 19 1 0 0 0 0 4 62 1 0 0 0 0 5 20 1 0 0 0 0 5 63 1 0 0 0 0 6 26 1 0 0 0 0 6 30 1 0 0 0 0 7 21 1 0 0 0 0 7 64 1 0 0 0 0 8 22 1 0 0 0 0 8 65 1 0 0 0 0 9 24 1 0 0 0 0 9 66 1 0 0 0 0 10 25 1 0 0 0 0 10 67 1 0 0 0 0 11 31 1 0 0 0 0 11 34 1 0 0 0 0 12 32 2 0 0 0 0 13 36 1 0 0 0 0 13 73 1 0 0 0 0 14 41 1 0 0 0 0 14 45 1 0 0 0 0 15 42 1 0 0 0 0 15 76 1 0 0 0 0 16 44 1 0 0 0 0 16 77 1 0 0 0 0 17 46 1 0 0 0 0 17 80 1 0 0 0 0 18 19 1 0 0 0 0 18 27 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 20 21 1 0 0 0 0 20 49 1 0 0 0 0 21 26 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 28 1 0 0 0 0 25 54 1 0 0 0 0 26 55 1 0 0 0 0 27 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 33 36 2 0 0 0 0 34 37 2 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 37 68 1 0 0 0 0 38 42 1 0 0 0 0 38 69 1 0 0 0 0 39 43 2 0 0 0 0 39 70 1 0 0 0 0 40 41 2 0 0 0 0 40 71 1 0 0 0 0 42 44 2 0 0 0 0 43 44 1 0 0 0 0 43 72 1 0 0 0 0 45 46 1 0 0 0 0 45 74 1 0 0 0 0 45 75 1 0 0 0 0 46 78 1 0 0 0 0 46 79 1 0 0 0 0 M END > DB13764 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MBHXKZDTQCSVPM-BDAFLREQSA-N/SDF?record_type=3d > C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(OC4=CC(OCCO)=CC(O)=C4C3=O)C3=CC=C(O)C(O)=C3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O > InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3/t10-,17+,19-,20+,22+,23-,24+,25+,28+,29-/m0/s1 > MBHXKZDTQCSVPM-BDAFLREQSA-N > C29H34O17 > 654.574 > 654.179599635 > 17 > 80 > 62.7144588620628 > 0 > 10 > 0 > 0 > 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-(2-hydroxyethoxy)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-4H-chromen-4-one > -0.25 > -1.412968930999999 > -2.39 > 1 > 5 > 0 > 8.571811654612633 > 7.126239032801625 > -3.648686043788379 > 274.74999999999994 > 150.9197000000001 > 9 > 0 > 2.68e+00 g/l > zyma SA > 0 $$$$