75212996 -OEChem-11211817293D 61 64 0 1 0 0 0 0 0999 V2000 -8.0977 -2.0943 1.8142 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.8345 0.2159 1.6757 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1768 1.7818 0.0270 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1472 0.5897 -1.6268 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7953 2.8138 -0.0195 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5957 -1.9789 -0.6967 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 -3.2187 0.9549 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5166 -2.0138 2.8587 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4104 1.5584 1.4934 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2140 -3.3238 -1.8312 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2858 2.7656 -0.6192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5810 1.2778 -0.5648 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 0.4117 -0.3986 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5394 1.5493 0.5762 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4710 -0.9231 0.2494 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0926 1.4899 1.0791 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0416 -0.8855 0.7906 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3555 1.5010 -0.7969 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7757 -2.0678 1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0233 2.1070 -0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6806 0.1442 -1.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 2.1672 -0.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0692 0.0154 -0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8523 1.7834 0.3749 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0931 -0.9904 -1.3514 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 3.6111 -0.2239 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 -1.2353 -1.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9341 1.6209 -0.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5318 -2.2275 -1.5196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9074 -2.3460 -1.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 0.7043 0.1807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8014 0.1412 1.4470 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0891 0.4021 -0.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7718 -0.7243 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0596 -0.4634 -0.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6206 -3.1323 -1.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9008 -1.0266 1.1907 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9177 0.4098 -0.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2050 1.4480 1.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1752 -1.1197 1.0686 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9657 2.2584 1.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2865 -0.8718 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5330 1.7073 -1.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9928 3.1941 -0.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 1.4710 -1.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7201 2.8145 -0.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4794 -2.8198 -0.2236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1605 -0.8384 -1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 4.0771 0.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0616 4.1482 -1.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3461 3.7742 0.6244 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7663 -1.3637 -0.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3876 -3.3125 -1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6922 -4.0077 1.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9276 0.3710 2.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2225 0.8330 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -1.1553 2.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9339 -0.6904 -0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0574 -4.1063 -2.2146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0745 -2.8046 -1.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8551 -2.4598 -2.8037 H 0 0 0 0 0 0 0 0 0 0 0 0 1 37 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 16 1 0 0 0 0 3 24 1 0 0 0 0 4 13 1 0 0 0 0 4 45 1 0 0 0 0 5 14 1 0 0 0 0 5 46 1 0 0 0 0 6 15 1 0 0 0 0 6 47 1 0 0 0 0 7 19 1 0 0 0 0 7 54 1 0 0 0 0 8 19 2 0 0 0 0 9 24 2 0 0 0 0 10 29 1 0 0 0 0 10 36 1 0 0 0 0 11 28 2 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 22 2 0 0 0 0 20 24 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 23 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 23 27 1 0 0 0 0 25 29 2 0 0 0 0 25 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 30 53 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 55 1 0 0 0 0 33 35 2 0 0 0 0 33 56 1 0 0 0 0 34 37 2 0 0 0 0 34 57 1 0 0 0 0 35 37 1 0 0 0 0 35 58 1 0 0 0 0 36 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 M END > DBMET02187 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/QCBWEVBGELGABM-UHFFFAOYSA-N/SDF?record_type=3d > COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(=O)OC1OC(C(O)C(O)C1O)C(O)=O > InChI=1S/C25H24ClNO10/c1-11-15(10-18(28)36-25-21(31)19(29)20(30)22(37-25)24(33)34)16-9-14(35-2)7-8-17(16)27(11)23(32)12-3-5-13(26)6-4-12/h3-9,19-22,25,29-31H,10H2,1-2H3,(H,33,34) > QCBWEVBGELGABM-UHFFFAOYSA-N > C25H24ClNO10 > 533.91 > 533.1088737 > 9 > 61 > 52.28995590048741 > 1 > 4 > 0 > 0 > 6-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid > 2.25 > 1.5818808243333335 > -3.92 > 1 > 4 > -1 > 12.212686041430253 > 3.1820594279781673 > -2.91639043392731 > 164.75 > 127.10919999999999 > 7 > 0 > 6.49e-02 g/l > 6-({2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid > 0 $$$$