11154476 -OEChem-10051720513D 54 59 0 1 0 0 0 0 0999 V2000 0.7669 0.1408 1.4748 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 2.7171 -0.3337 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 -2.1438 1.0169 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6275 -1.3650 -0.6486 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6154 2.1547 -0.9776 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1353 2.4193 -0.8224 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7334 -1.8902 -1.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7873 3.0082 1.5521 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -3.7652 -0.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9375 -1.8430 1.1699 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0643 0.3945 -0.7540 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0482 -0.4976 0.0573 C 0 0 2 0 0 0 0 0 0 0 0 0 0.9009 0.9306 0.2996 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8532 1.6323 -1.2023 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2480 0.4495 0.3412 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3156 0.9307 -0.3219 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8202 -0.2227 -1.8544 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2399 -0.8583 1.2897 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3146 1.2735 -0.9474 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2616 -0.1783 -1.3512 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4354 -1.8729 -0.4722 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4207 2.3199 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5886 -0.1898 0.6856 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4393 0.4699 0.6023 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2614 -2.7201 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3839 -1.0321 0.4428 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6617 0.9015 0.8478 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0141 -1.1506 -0.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4693 -0.9776 2.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8298 0.9648 0.2224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 1.9551 -2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9923 1.1204 1.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7497 0.3760 -2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5717 -1.2474 -2.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8051 -0.9405 2.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6737 0.7136 -1.8114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9547 -0.0455 -2.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1843 -2.4107 0.0941 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2263 0.7365 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9415 2.3122 -1.6604 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7569 2.9825 -0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3085 1.7317 1.4694 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5490 0.4927 1.3481 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0240 1.2910 -0.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9423 -2.2192 -0.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7175 -0.9015 -1.4537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1118 -1.0695 -0.5184 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8044 -1.8407 1.9594 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4498 -1.3685 2.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1250 -0.3278 2.8152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5892 0.5163 0.8723 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0880 0.6991 -0.8087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9012 2.0521 0.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4471 -1.0712 -2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 20 1 0 0 0 0 4 26 1 0 0 0 0 5 16 1 0 0 0 0 5 40 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 21 1 0 0 0 0 7 54 1 0 0 0 0 8 22 2 0 0 0 0 9 25 2 0 0 0 0 10 26 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 15 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 13 16 1 0 0 0 0 13 22 1 0 0 0 0 14 19 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 25 1 0 0 0 0 21 38 1 0 0 0 0 23 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 30 1 0 0 0 0 24 39 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 M END > DB06746 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LMEHVEUFNRJAAV-UKWFQYJJSA-N/SDF?record_type=3d > C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]43[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O > InChI=1S/C20H24O10/c1-6-12(23)27-7-5-17-11-8(21)9(16(2,3)4)18(17)10(22)13(24)29-15(18)30-20(17,14(25)28-11)19(6,7)26/h6-11,15,21-22,26H,5H2,1-4H3/t6-,7+,8-,9+,10+,11-,15+,17-,18+,19-,20-/m1/s1 > LMEHVEUFNRJAAV-UKWFQYJJSA-N > C20H24O10 > 424.3986 > 424.136946988 > 7 > 54 > -2.5994152500252964e-05 > 39.01456574500185 > 1 > 3 > 0 > 0 > (1R,3R,6R,7S,8S,9R,10S,11S,13S,16S,17R)-8-tert-butyl-6,9,17-trihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecane-5,15,18-trione > 0.23 > -0.6601662809999991 > -1.79 > 0 > 0 > 6 > 0 > 12.35772537978387 > 11.762080600977589 > -3.298987223111206 > 148.82 > 91.459 > 1 > 1 > 6.96e+00 g/l > tetrahydrofolic acid > 0 $$$$