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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