Mrv1718005071818532D 65 69 0 0 0 0 999 V2000 1.1119 -1.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7012 -1.1028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2900 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5844 3.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0034 2.9795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4140 3.6998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 0.1294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0082 -0.6962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7049 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4180 0.1294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4190 -0.6962 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1311 -1.1037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8468 -0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1290 0.5475 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8415 0.1290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8492 1.7754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1298 1.3699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5616 1.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5512 0.5405 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2533 0.1213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 0.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2742 1.7624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9777 1.3419 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6874 1.7351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 2.5545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2848 2.5803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2395 3.7023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0011 4.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9703 2.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2691 0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5431 -0.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8337 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1242 -0.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4161 1.7837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 0.9550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4148 -1.5176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7194 -1.1072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5931 -0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4352 -0.6967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4377 0.1294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1493 0.5440 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8671 0.1322 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8688 -0.6943 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1527 -1.1092 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1464 1.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4295 1.7777 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.8605 1.7827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5812 0.5495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5856 -1.1028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1541 -1.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8704 -2.3484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5861 -1.9342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3003 -2.3444 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3059 -3.1702 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5912 -3.5844 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8709 -3.1769 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0135 -1.9257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0090 -1.1000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.7313 -2.3365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0238 -3.5770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5955 -4.4099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1568 -3.5899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8750 -1.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2609 3.3447 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 -6.2395 -0.5136 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 13 15 1 0 0 0 0 22 30 1 1 0 0 0 14 15 1 0 0 0 0 19 31 1 6 0 0 0 7 8 1 0 0 0 0 15 32 1 1 0 0 0 14 33 1 6 0 0 0 17 34 2 0 0 0 0 5 4 1 0 0 0 0 10 35 1 1 0 0 0 14 17 1 0 0 0 0 11 36 1 6 0 0 0 15 19 1 0 0 0 0 8 37 1 0 0 0 0 18 16 2 0 0 0 0 8 38 1 6 0 0 0 16 17 1 0 0 0 0 39 37 1 6 0 0 0 39 40 1 0 0 0 0 18 19 1 0 0 0 0 7 9 1 0 0 0 0 8 2 1 0 0 0 0 2 11 1 0 0 0 0 10 9 1 0 0 0 0 39 44 1 0 0 0 0 41 40 1 0 0 0 0 42 41 1 0 0 0 0 43 42 1 0 0 0 0 44 43 1 0 0 0 0 18 22 1 0 0 0 0 41 45 1 1 0 0 0 19 20 1 0 0 0 0 45 46 1 0 0 0 0 20 21 1 0 0 0 0 45 47 2 0 0 0 0 21 23 1 0 0 0 0 42 48 1 6 0 0 0 22 23 1 0 0 0 0 43 49 1 1 0 0 0 10 11 1 0 0 0 0 44 50 1 6 0 0 0 5 6 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 2 1 1 0 0 0 0 3 2 1 0 0 0 0 22 26 1 0 0 0 0 23 24 1 0 0 0 0 51 56 1 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 24 25 1 0 0 0 0 53 57 1 1 0 0 0 25 5 1 0 0 0 0 57 58 1 0 0 0 0 5 26 1 0 0 0 0 57 59 2 0 0 0 0 10 14 1 0 0 0 0 54 60 1 6 0 0 0 6 27 1 0 0 0 0 55 61 1 1 0 0 0 11 12 1 0 0 0 0 56 62 1 6 0 0 0 6 28 2 0 0 0 0 51 63 1 6 0 0 0 12 13 1 0 0 0 0 23 29 1 1 0 0 0 M CHG 4 46 -1 58 -1 64 1 65 1 M END > DBSALT002693 > drugbank > [K+].[K+].[H][C@@]1(CC[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])C(=O)C=C2[C@]4([H])C[C@](C)(CC[C@]4(C)CC[C@@]32C)C(O)=O)C1(C)C)O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O[C@]1([H])O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)C([O-])=O > InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1 > BIVBRWYINDPWKA-VLQRKCJKSA-L > C42H60K2O16 > 899.123 > 898.31554883 > 16 > 120 > 85.45961401588787 > 0 > 6 > 0 > 0 > dipotassium (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate > 3.10 > 3.1302058209999997 > -4.16 > 1 > 7 > -3 > 3.5738490011649704 > 2.961005004154196 > -3.731980846359378 > 272.69999999999993 > 220.50410000000008 > 7 > 0 > 6.29e-02 g/l > dipotassium (2S,3S,4S,5R,6S)-6-{[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy}-5-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4-dihydroxyoxane-2-carboxylate > 0 > DBSALT002693 > Glycyrrhizinate dipotassium > DB13751 > Glycyrrhizic acid > 68797-35-3 > CA2Y0FE3FX $$$$