5311100 -OEChem-01231912553D 61 62 0 1 0 0 0 0 0999 V2000 5.1302 -1.4267 1.8458 F 0 0 0 0 0 0 0 0 0 0 0 0 3.0450 -1.9659 1.5905 F 0 0 0 0 0 0 0 0 0 0 0 0 4.3579 -1.8613 -0.1399 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1173 -1.2205 2.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 1.5651 0.9466 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4773 4.6500 -1.0966 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2342 2.2486 -0.9496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9199 -0.8714 -4.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0575 -0.9527 -2.9566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7985 -0.8187 0.7100 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2234 0.6556 0.6160 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0280 -1.4730 1.3479 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7111 0.5867 0.2275 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1992 -0.8182 0.6162 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 -1.0309 1.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4201 1.4483 -0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0616 -2.4520 1.6913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7203 2.5466 -0.0472 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9155 3.3417 -1.0369 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2890 -3.1728 0.8643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2618 -2.6460 -0.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5482 3.4465 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1951 -3.4380 -1.6617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3799 -2.9182 -2.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2971 1.9022 -0.1557 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0150 -1.4923 -3.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6225 0.5582 0.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0526 2.8939 0.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 0.2061 0.8354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1335 2.5419 1.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4588 1.1978 1.4609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0513 -1.2306 1.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6698 -1.2275 -0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1394 1.1214 1.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0275 -2.5587 1.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8765 0.7621 -0.8421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4016 -1.3821 -0.3024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1117 -0.7970 1.2205 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7058 -0.4454 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6210 -0.5929 2.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4110 1.0981 -1.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9400 -1.6292 3.0635 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3848 1.4722 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 -2.9422 2.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7321 2.9032 0.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9798 2.9030 -2.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0417 -4.1959 1.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 -2.6979 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0173 -1.5915 -0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0215 4.2790 -1.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5923 3.6760 0.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2914 -3.4167 -1.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0936 -4.4903 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3918 4.5656 -1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4737 -2.9757 -2.9360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0415 -3.5495 -3.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0354 -0.2094 -0.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8521 3.9520 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7261 3.3142 1.7598 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3051 0.9435 2.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 0.0479 -4.2877 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 12 1 0 0 0 0 4 42 1 0 0 0 0 5 13 1 0 0 0 0 5 43 1 0 0 0 0 6 19 1 0 0 0 0 6 54 1 0 0 0 0 7 22 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 61 1 0 0 0 0 9 26 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 2 0 0 0 0 16 41 1 0 0 0 0 17 20 2 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 21 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 26 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 27 1 0 0 0 0 25 28 2 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 M END > DB11519 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WWSWYXNVCBLWNZ-QIZQQNKQSA-N/SDF?record_type=3d > O[C@@H](COC1=CC=CC(=C1)C(F)(F)F)\C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C\C=C/CCCC(O)=O > InChI=1S/C23H29F3O6/c24-23(25,26)15-6-5-7-17(12-15)32-14-16(27)10-11-19-18(20(28)13-21(19)29)8-3-1-2-4-9-22(30)31/h1,3,5-7,10-12,16,18-21,27-29H,2,4,8-9,13-14H2,(H,30,31)/b3-1-,11-10+/t16-,18-,19-,20+,21-/m1/s1 > WWSWYXNVCBLWNZ-QIZQQNKQSA-N > C23H29F3O6 > 458.474 > 458.191623143 > 6 > 61 > 45.10442187400305 > 1 > 4 > 0 > 1 > (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoic acid > 3.39 > 2.919916161333333 > -4.45 > 0 > 2 > -1 > 13.948068466084013 > 4.355293595886775 > -2.872004062695197 > 107.22000000000001 > 113.921 > 12 > 1 > 1.64e-02 g/l > (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-en-1-yl]cyclopentyl]hept-5-enoic acid > 0 $$$$