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Glycyrrhizin

MNXM167868 is deprecated and here replaced by MNXM1368591
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368591 Image of MNXM1368591
referencehmdb:HMDB0029843
formulaC42H62O16
global charge0
mol weight822.942
InChIKeyLPLVUJXQOOQHMX-UHFFFAOYSA-N
InChIInChI=1S/C42H62O16/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)
SMILESCC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
MNX internals
InChI (mnx)InChI=1/C42H62O16/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)/t19?,21?,22?,23?,24?,25?,26?,27?,28?,29?,30?,31?,34?,35?,38?,39?,40?,41?,42? Image of MNXM1368591
SMILES (mnx)[CH3:1][C:37]1([CH3:2])[CH:21]2[CH2:8][CH2:11][C:42]3([CH3:7])[CH:31]([C:20](=[O:43])[CH:16]=[C:18]4[CH:19]5[CH2:17][C:39]([CH3:4])([C:36](=[O:53])[OH:54])[CH2:13][CH2:12][C:38]5([CH3:3])[CH2:14][CH2:15][C:41]43[CH3:6])[C:40]2([CH3:5])[CH2:10][CH2:9][CH:22]1[O:55][CH:35]1[CH:30]([O:58][CH:34]2[CH:27]([OH:48])[CH:23]([OH:44])[CH:24]([OH:45])[CH:28]([C:32](=[O:49])[OH:50])[O:56]2)[CH:26]([OH:47])[CH:25]([OH:46])[CH:29]([C:33](=[O:51])[OH:52])[O:57]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0029843
LPLVUJXQOOQHMX-UHFFFAOYSA-N 		Glycyrrhizin
5-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-6-[(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]-3,4-dihydroxyoxane-2-carboxylic acid
6-({6-carboxy-2-[(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]-4,5-dihydroxyoxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylate
Acid, glycyrrhizic
Acid, glycyrrhizinic
Dermacrin
Diammonium glycyrrhizinate
Dipotassium glycyrrhizinate
Glycyram
Glycyron
Glycyrrhetic acid 3-O-[b-D-glucuronopyranosyl-(1->2)-a-D-glucuronopyranoside]
Glycyrrhitin
Glycyrrhizate, zinc
Glycyrrhizic acid
Glycyrrhizin, jan
Glycyrrhizinate
Glycyrrhizinate, diammonium
Glycyrrhizinate, dipotassium
Glycyrrhizinic acid
Glycyrrizin
Zinc glycyrrhizate
ammonium glycyrrhizate
beta-Glycyrrhizin

hmdb:HMDB29843 		secondary/obsolete/fantasy identifier