6918546 -OEChem-10051720463D 54 55 0 0 0 0 0 0 0999 V2000 1.3041 3.0685 -0.3880 P 0 0 0 0 0 0 0 0 0 0 0 0 1.3533 -0.8966 -2.5690 P 0 0 0 0 0 0 0 0 0 0 0 0 0.7772 1.5748 -0.0641 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 -0.1436 -1.5330 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8114 -2.1111 -0.2557 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9414 1.3234 -0.9474 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4252 -2.7564 1.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9934 -1.4440 -0.8149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0907 3.6911 -1.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4658 2.8480 -1.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -0.2725 -3.9961 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0899 -0.2156 -2.3053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6912 3.8866 0.8097 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3853 -2.3962 -2.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4506 0.4857 1.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5003 0.6089 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2920 -0.2615 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5723 0.7247 1.7708 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6332 1.3821 2.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1924 -0.5077 2.6017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0339 -1.2549 0.4640 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.4928 2.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9841 -1.3780 1.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5968 -0.6682 1.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3613 1.3894 0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1748 0.6615 -0.0361 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4103 -1.3964 0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1994 -0.7314 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5376 -3.0973 0.4752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3564 1.5789 -2.2227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4816 -3.4621 0.2478 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3214 -1.7228 -0.3778 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1669 1.9888 3.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1634 -0.6169 3.6834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2235 2.2125 3.3227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5321 -2.1249 2.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9983 -1.2006 2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3464 2.4755 0.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1003 -3.6893 -0.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8666 -3.7892 0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2716 -2.6417 1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4398 2.1677 -2.1160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1412 0.6390 -2.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0720 2.1507 -2.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6440 -3.2498 -0.8137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4591 -3.1922 0.5314 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6207 -4.5334 0.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3079 -2.3206 0.5390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8758 -0.7937 -0.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8262 -2.2955 -1.1606 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1190 4.6414 -1.4999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 3.6246 -1.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4032 -0.6445 -4.8160 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 -0.5642 -2.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 13 2 0 0 0 0 2 4 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 14 2 0 0 0 0 3 16 1 0 0 0 0 4 17 1 0 0 0 0 5 21 1 0 0 0 0 5 29 1 0 0 0 0 6 26 1 0 0 0 0 6 30 1 0 0 0 0 7 27 1 0 0 0 0 7 31 1 0 0 0 0 8 28 1 0 0 0 0 8 32 1 0 0 0 0 9 51 1 0 0 0 0 10 52 1 0 0 0 0 11 53 1 0 0 0 0 12 54 1 0 0 0 0 15 16 2 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 17 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 23 2 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 24 27 1 0 0 0 0 24 37 1 0 0 0 0 25 26 2 0 0 0 0 25 38 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 29 39 1 0 0 0 0 29 40 1 0 0 0 0 29 41 1 0 0 0 0 30 42 1 0 0 0 0 30 43 1 0 0 0 0 30 44 1 0 0 0 0 31 45 1 0 0 0 0 31 46 1 0 0 0 0 31 47 1 0 0 0 0 32 48 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 M END > DB05143 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GSOXMQLWUDQTNT-WAYWQWQTSA-N/SDF?record_type=3d > [H]\C(=C(/[H])C1=C(OP(O)(O)=O)C(OP(O)(O)=O)=C(OC)C=C1)C1=CC(OC)=C(OC)C(OC)=C1 > InChI=1S/C18H22O12P2/c1-25-13-8-7-12(16(29-31(19,20)21)18(13)30-32(22,23)24)6-5-11-9-14(26-2)17(28-4)15(10-11)27-3/h5-10H,1-4H3,(H2,19,20,21)(H2,22,23,24)/b6-5- > GSOXMQLWUDQTNT-WAYWQWQTSA-N > C18H22O12P2 > 492.31 > 492.058650144 > 10 > 54 > 43.30707736941818 > 1 > 4 > 0 > 0 > [3-methoxy-2-(phosphonooxy)-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxy]phosphonic acid > 1.76 > 1.7675408539999997 > -4.26 > 0 > 2 > -4 > 1.9321060226573152 > 1.3140167611808669 > -4.31959572454476 > 170.43999999999997 > 113.07319999999999 > 10 > 1 > 2.68e-02 g/l > 3-methoxy-2-(phosphonooxy)-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenoxyphosphonic acid > 0 $$$$