Mrv1718005071818522D 65 67 0 0 0 0 999 V2000 0.4765 1.9910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -1.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6840 -2.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1094 4.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2956 3.9717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 -2.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8341 -3.8022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -4.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1350 -0.8896 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2331 -3.3997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9637 -4.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2956 -1.2922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2956 0.3812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8551 1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 1.2179 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.6840 -0.0528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0440 -2.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3468 -2.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3741 -2.8278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2391 3.7174 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.2073 0.7837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9064 0.3812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4765 0.3812 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6054 0.7837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4765 -0.4342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.6054 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 1.6311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 2.0228 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2331 -0.8684 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9064 -0.4342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2073 -0.8684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 1.6311 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2331 0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 -0.4342 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9169 1.1120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4765 1.2179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 0.7837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 0.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3361 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9319 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 3.2621 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7343 2.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0634 -1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5507 -1.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0352 2.4783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7343 2.8278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5118 3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4042 -2.1499 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5480 3.9717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1244 -2.5525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1244 -3.3997 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6840 -3.3997 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4042 -3.8022 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8551 -1.2922 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9637 -3.8022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5754 -0.8896 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.5754 -0.0528 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1350 -0.0528 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8551 0.3812 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4042 0.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 0.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4447 -1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3043 1.2179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 36 2 1 1 0 0 0 50 2 1 1 0 0 0 3 50 1 0 0 0 0 3 54 1 0 0 0 0 4 49 2 0 0 0 0 5 49 1 0 0 0 0 52 6 1 1 0 0 0 56 6 1 1 0 0 0 53 7 1 6 0 0 0 55 8 1 1 0 0 0 9 56 1 0 0 0 0 9 60 1 0 0 0 0 10 57 2 0 0 0 0 11 57 1 0 0 0 0 58 12 1 6 0 0 0 59 13 1 1 0 0 0 61 14 1 6 0 0 0 15 62 1 0 0 0 0 16 62 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 27 1 0 0 0 0 21 63 1 6 0 0 0 22 24 1 0 0 0 0 22 30 1 0 0 0 0 22 37 1 1 0 0 0 23 25 1 0 0 0 0 23 34 1 0 0 0 0 23 38 1 1 0 0 0 24 26 1 0 0 0 0 24 35 1 0 0 0 0 24 40 1 6 0 0 0 25 29 1 0 0 0 0 25 31 1 0 0 0 0 25 64 1 6 0 0 0 26 28 1 0 0 0 0 26 32 2 0 0 0 0 27 32 1 0 0 0 0 28 33 1 0 0 0 0 28 41 1 0 0 0 0 28 65 1 1 0 0 0 29 36 1 0 0 0 0 29 45 1 1 0 0 0 29 46 1 6 0 0 0 30 31 1 0 0 0 0 33 39 1 0 0 0 0 33 44 1 0 0 0 0 33 47 1 1 0 0 0 34 42 1 0 0 0 0 35 39 1 0 0 0 0 36 42 1 0 0 0 0 41 43 1 0 0 0 0 43 48 1 0 0 0 0 43 49 1 1 0 0 0 43 51 1 6 0 0 0 44 48 1 0 0 0 0 50 52 1 0 0 0 0 52 53 1 0 0 0 0 53 55 1 0 0 0 0 54 55 1 0 0 0 0 54 57 1 6 0 0 0 56 58 1 0 0 0 0 58 59 1 0 0 0 0 59 61 1 0 0 0 0 60 61 1 0 0 0 0 60 62 1 1 0 0 0 M CHG 2 15 -1 20 1 M END > DBSALT002692 > drugbank > [NH4+].O.O.O.[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C([O-])=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O > InChI=1S/C42H62O16.H3N.3H2O/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);1H3;3*1H2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;;;/m0..../s1 > RSPXVECNDMCBGQ-YMYWBCTMSA-N > C42H71NO19 > 894.018 > 893.46202907 > 16 > 133 > 85.75228756438662 > 0 > 7 > 0 > 0 > ammonium (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-2-{[(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}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate trihydrate > 2.84 > 3.1302058209999997 > -4.29 > 1 > 7 > -3 > 3.5738490011649704 > 2.961005004154196 > -3.731980846359378 > 269.86999999999995 > 209.66700000000003 > 7 > 0 > 4.27e-02 g/l > ammonium (2S,3S,4S,5R,6R)-6-{[(2S,3R,4S,5S,6S)-2-{[(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}-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylate trihydrate > 0 > DBSALT002692 > Ammonium glycyrrhizinate trihydrate > DB13751 > Glycyrrhizic acid > 911217-00-0 > 78NEL3149I $$$$