5283081 -OEChem-06271918393D 60 61 0 1 0 0 0 0 0999 V2000 -4.1919 0.8198 2.4331 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2201 3.0796 -0.3357 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8010 3.7499 -2.3645 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 -2.9134 -3.0162 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8173 -1.9429 -2.3546 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6622 0.0271 0.6800 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4861 1.4282 0.0727 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0945 0.0829 1.2202 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8524 1.7259 -0.5702 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8670 0.7910 0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 -0.3086 1.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3664 1.5149 -0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7601 -1.6400 2.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3296 2.3573 -0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7920 2.4412 -1.7980 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2563 -2.8160 2.0230 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1444 2.1803 -1.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4458 -2.9863 0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2208 0.8370 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0699 -3.9582 -0.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5176 0.6231 0.3618 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -4.1525 -1.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 0.0113 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6276 1.0421 1.6791 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0343 -2.8816 -2.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7786 -0.1866 0.3957 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8274 0.8443 2.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9029 0.2300 1.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6185 -0.7265 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3040 2.1555 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5003 -0.9159 1.4089 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 1.5604 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1971 0.0445 -0.6248 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7452 1.3255 0.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6325 0.4592 2.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6200 -0.2229 1.3113 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4097 0.8469 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9793 1.7502 2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5386 3.6409 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3450 -1.6378 3.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2837 3.0322 0.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6551 1.7245 -2.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4393 -3.7011 2.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9382 2.2354 -1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3647 3.0013 -0.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5384 -3.3727 1.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2523 -2.0308 0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4040 0.7462 0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 0.0166 -1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0677 -3.5938 -0.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2131 -4.9364 0.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 3.8819 -2.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7449 -4.5498 -1.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7238 -4.8818 -2.1675 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4923 -0.3148 -1.3206 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7965 1.5233 2.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6161 -0.6644 -0.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9245 1.1692 3.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8370 0.0764 2.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2504 -2.0971 -3.5455 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 38 1 0 0 0 0 2 9 1 0 0 0 0 2 39 1 0 0 0 0 3 15 1 0 0 0 0 3 52 1 0 0 0 0 4 25 1 0 0 0 0 4 60 1 0 0 0 0 5 25 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 29 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 2 0 0 0 0 12 37 1 0 0 0 0 13 16 2 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 22 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 23 26 1 0 0 0 0 23 55 1 0 0 0 0 24 27 2 0 0 0 0 24 56 1 0 0 0 0 26 28 2 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 M END > DBMET02588 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/YFHHIZGZVLHBQZ-KDACTHKWSA-N/SDF?record_type=3d > [H]\C(CCCC(O)=O)=C(/[H])C[C@@]1([H])[C@@]([H])(O)C[C@@]([H])(O)[C@]1([H])C(\[H])=C(/[H])[C@@]([H])(O)CCC1=CC=CC=C1 > InChI=1S/C23H32O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,3-6,8-9,14-15,18-22,24-26H,2,7,10-13,16H2,(H,27,28)/b6-1-,15-14+/t18-,19+,20+,21-,22+/m0/s1 > YFHHIZGZVLHBQZ-KDACTHKWSA-N > C23H32O5 > 388.504 > 388.22497413 > 5 > 60 > 43.986999382206236 > 1 > 4 > 0 > 1 > (5Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(1E,3S)-3-hydroxy-5-phenylpent-1-en-1-yl]cyclopentyl]hept-5-enoic acid > 3.76 > 2.8557210599999983 > -4.01 > 0 > 2 > -1 > 14.361473126073047 > 4.355293595690585 > -2.846901073097137 > 97.99 > 111.36369999999997 > 11 > 1 > 3.78e-02 g/l > (2S,3S,4S,5R)-3,4,5-trihydroxy-6-{[1-(isopropylamino)-3-(naphthalen-1-yloxy)propan-2-yl]oxy}oxane-2-carboxylic acid > 0 $$$$