input word = C00003522

Metabolite InformationStructural formula
Name Glycyrrhizic acid
Glycyrrhizin
Formula C42H62O16
Mw 822.40378593
CAS RN 1405-86-3
C_ID C00003522 ,
InChIKey LPLVUJXQOOQHMX-ZSAZCZJXNA-N
InChICode InChI=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)/t19-,21-,22-,23-,24-,25-,26-,27+,28+,29+,30+,31+,34-,35-,38+,39-,40-,41+,42+/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1=O)[C@H]1[C@@](CC2)(CC[C@](C1)(C)C(=O)O)C)C)C)C)(C)C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeStevia rebaudiana Ref.
PlantaeFabaceaeAbrus precatorius Ref.
PlantaeFabaceaeGlycyrrhiza aspera Ref.
PlantaeFabaceaeGlycyrrhiza glabra Ref.
PlantaeFabaceaeGlycyrrhiza inflata Ref.
PlantaeFabaceaeGlycyrrhiza kansuensis Ref.
PlantaeFabaceaeGlycyrrhiza radix Ref.
PlantaeFabaceaeGlycyrrhiza uralensis Ref.
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OrganismGlycyrrhiza uralensis
ReferenceOu, et al., Brief Handbook of Components of Traditional Chinese Medicines, The People's Medical Publishing House, Beijing, (2003).

Chang, et al., Dictionary of Chemistry, Science Press, Beijing, (2008).

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009).

Sun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998).

Chinese Materia Medica Editing Committee of the National Chinese Medicine and Pharmacology Bureau, Chinese Materia Medica (ZHONG HUA BEN CAO), Vol.1-Vol.30, Shanghai Science and technology Press, Shanghai, (1999).

Ji, et al., Pharmacological Action and Application of Available Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1995).

Xu et al., Chinese Materia Medica, 1154-6, Chinese Medicinal Science and Technology Press, (1996).