9927355 -OEChem-10051721133D 46 49 0 1 0 0 0 0 0999 V2000 0.0585 -0.4969 0.1011 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5242 0.1670 -0.2607 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4708 -3.4649 -0.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2451 -0.6791 0.3067 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4127 1.8685 -0.3663 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0497 2.1461 -0.7437 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5246 2.2976 1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3387 3.4336 0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6480 3.2394 1.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7658 0.4047 -0.6517 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9443 0.9778 -0.3973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 -0.2557 -0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2334 0.1140 -0.3951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3388 1.0979 -0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2420 -1.3199 0.3449 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1733 0.0289 -0.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1660 0.2861 -1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6462 -0.3240 0.8625 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6251 -1.1769 0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6792 -2.6288 0.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5147 0.0198 -1.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9949 -0.5904 1.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9292 -0.4185 0.0774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 -4.7264 0.0423 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0591 2.5316 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1351 2.3197 -1.8238 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4724 1.4540 1.8056 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4807 2.8024 1.2885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8763 4.2823 -0.4873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4007 3.6646 0.1533 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 2.7782 2.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3199 4.1920 1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5761 0.1862 -1.7133 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7764 2.0344 -0.8352 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 0.6293 -2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 -0.4660 1.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2822 -2.0035 0.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 -3.1165 1.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7400 -2.4899 1.3459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2326 0.1582 -1.9844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3117 -0.9318 2.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7290 1.0657 -0.5714 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0378 -4.6002 0.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6242 -5.2532 0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7978 -5.3254 -0.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7472 -0.5068 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 12 1 0 0 0 0 2 16 1 0 0 0 0 2 42 1 0 0 0 0 3 20 1 0 0 0 0 3 24 1 0 0 0 0 4 23 1 0 0 0 0 4 46 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 25 1 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 17 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 19 2 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 M END > DB08020 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RHQLNMNKTIOREN-AOIWGVFYSA-N/SDF?record_type=3d > [H][C@@]12CCC[C@]1([H])[C@@]([H])(OC1=C2C=C(O)C=C1COC)C1=CC=C(O)C=C1 > InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1 > RHQLNMNKTIOREN-AOIWGVFYSA-N > C20H22O4 > 326.3863 > 326.151809192 > 4 > 46 > -0.005860656274644556 > 35.45508329860914 > 1 > 2 > 0 > 1 > (2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-8-oxatricyclo[7.4.0.0^{2,6}]trideca-1(9),10,12-trien-12-ol > 3.73 > 3.9857526869999997 > -4.41 > 0 > 0 > 4 > 0 > 9.987422253524107 > 9.313739670537617 > -4.062330080172246 > 58.92 > 92.06249999999999 > 3 > 1 > 1.28e-02 g/l > tetrahydrofolic acid > 0 $$$$