6918092 -OEChem-10051721403D 79 85 0 1 0 0 0 0 0999 V2000 -6.2281 2.6534 1.4304 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3536 -0.6708 -0.9413 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0698 2.4176 -2.0422 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5713 0.9743 0.1877 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1525 1.6116 0.5557 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8217 1.5454 -3.2543 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 -2.0206 -1.5433 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9528 3.0521 2.0364 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0415 -0.1550 -1.7429 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8097 -5.0632 1.7340 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2504 -5.5052 0.5663 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9139 0.9131 -1.6928 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8195 0.2460 2.5626 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9930 1.0941 1.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7365 2.6593 2.0166 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3966 3.3707 -0.0094 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2049 3.2621 2.3448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3289 0.6098 -0.6492 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4132 0.1064 -1.8751 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2307 -0.4790 -0.0815 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4177 -0.9966 -1.5098 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4813 -1.7926 0.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -2.0536 -0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9545 1.8745 -1.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 1.4037 -2.4771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 -0.3802 -0.2683 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6317 -0.4415 -0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7248 -0.6253 -1.2557 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9539 1.2463 -0.1304 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0726 -0.1655 -0.6945 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7838 1.3120 0.8489 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0486 -2.7895 0.8816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3676 -3.3082 -0.4880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3969 -4.0000 0.9911 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7765 -4.2525 0.3247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7044 2.7177 1.4302 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6679 -0.3519 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7245 -0.0154 -1.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0318 2.9315 1.1022 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8534 0.5005 -0.9437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7968 0.1640 1.2029 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2410 -6.0128 1.4624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8895 0.5902 0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3217 3.2467 1.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7954 0.7869 -3.1084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6618 -0.2111 3.2587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3861 0.9182 0.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3044 -0.3085 -2.5996 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5362 -0.1604 0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7257 -1.4948 -2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8492 1.7131 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1810 2.5926 -0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6702 -1.0588 0.5902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5170 -0.1219 -2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8037 1.9467 -0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 -0.8609 0.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9589 0.6181 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9783 -2.6171 1.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2965 -3.5298 -1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9208 2.7719 2.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4495 3.4606 0.6642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8048 -0.6684 1.1340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 -0.1332 -2.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 3.6576 0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9700 -2.4907 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7319 0.4531 -2.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2036 -6.9106 1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7187 -6.2885 2.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 4.2490 2.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1845 3.1729 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4804 2.5358 2.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7252 1.1675 -3.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7080 -0.2611 -3.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9836 1.4075 -3.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8568 -0.0766 4.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7807 0.3948 3.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4906 -1.2818 3.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0900 3.4870 2.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4940 4.3462 -0.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 1 17 2 0 0 0 0 2 20 1 0 0 0 0 2 26 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 26 1 0 0 0 0 4 31 1 0 0 0 0 5 29 1 0 0 0 0 5 39 1 0 0 0 0 6 25 2 0 0 0 0 7 28 1 0 0 0 0 7 65 1 0 0 0 0 8 36 1 0 0 0 0 8 39 1 0 0 0 0 9 30 1 0 0 0 0 9 66 1 0 0 0 0 10 34 1 0 0 0 0 10 42 1 0 0 0 0 11 35 1 0 0 0 0 11 42 1 0 0 0 0 12 40 1 0 0 0 0 12 45 1 0 0 0 0 13 41 1 0 0 0 0 13 46 1 0 0 0 0 14 43 1 0 0 0 0 15 78 1 0 0 0 0 16 79 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 24 1 0 0 0 0 18 47 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 32 2 0 0 0 0 23 33 2 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 26 28 1 0 0 0 0 26 53 1 0 0 0 0 27 37 2 0 0 0 0 27 38 1 0 0 0 0 28 30 1 0 0 0 0 28 54 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 31 36 1 0 0 0 0 31 57 1 0 0 0 0 32 34 1 0 0 0 0 32 58 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 34 35 2 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 37 41 1 0 0 0 0 37 62 1 0 0 0 0 38 40 2 0 0 0 0 38 63 1 0 0 0 0 39 44 1 0 0 0 0 39 64 1 0 0 0 0 40 43 1 0 0 0 0 41 43 2 0 0 0 0 42 67 1 0 0 0 0 42 68 1 0 0 0 0 44 69 1 0 0 0 0 44 70 1 0 0 0 0 44 71 1 0 0 0 0 45 72 1 0 0 0 0 45 73 1 0 0 0 0 45 74 1 0 0 0 0 46 75 1 0 0 0 0 46 76 1 0 0 0 0 46 77 1 0 0 0 0 M END > DBSALT000070 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/LIQODXNTTZAGID-OCBXBXKTSA-N/SDF?record_type=3d > [H][C@]12COC(=O)[C@]1([H])[C@]([H])(C1=CC(OC)=C(OP(O)(O)=O)C(OC)=C1)C1=CC3=C(OCO3)C=C1[C@@]2([H])O[C@]1([H])O[C@]2([H])CO[C@@]([H])(C)O[C@@]2([H])[C@]([H])(O)[C@@]1([H])O > InChI=1S/C29H33O16P/c1-11-38-9-20-27(42-11)23(30)24(31)29(43-20)44-25-14-7-17-16(40-10-41-17)6-13(14)21(22-15(25)8-39-28(22)32)12-4-18(36-2)26(19(5-12)37-3)45-46(33,34)35/h4-7,11,15,20-25,27,29-31H,8-10H2,1-3H3,(H2,33,34,35)/t11-,15+,20-,21-,22+,23-,24-,25-,27-,29+/m1/s1 > LIQODXNTTZAGID-OCBXBXKTSA-N > C29H33O16P > 668.5365 > 668.15062152 > 14 > 79 > -1.880114588356659 > 62.42147763266058 > 0 > 4 > 0 > 0 > {4-[(10R,11R,15R,16S)-16-{[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-6-yl]oxy}-12-oxo-4,6,13-trioxatetracyclo[7.7.0.0^{3,7}.0^{11,15}]hexadeca-1,3(7),8-trien-10-yl]-2,6-dimethoxyphenoxy}phosphonic acid > 0.84 > 0.5065653120000009 > -2.97 > 1 > -2 > 7 > -2 > 6.435267464770551 > 1.4587805104662537 > -3.6854092876640965 > 207.35999999999993 > 149.89409999999998 > 7 > 0 > 7.11e-01 g/l > tetrahydrofolic acid > 0 $$$$