LIPID MAPS

Structure Database (LMSD)

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Common Name

Glycyrrhizin

Systematic Name

30-hydroxy-11,30-dioxoolean-12-en-3β-yl 2-O-β-D-glucopyranuronosyl-β-D-glucopyranosiduronic acid

Synonyms

glycyrrhizinic acid

LM ID

LMPR0106150013

Formula

C₄₂H₆₂O₁₆

Exact Mass

Calculate m/z

822.40379

Status

Active

Show lipids differing only in stereochemistry/bond geometry

No other lipid differing only in stereochemistry/bond geometry found

Classification

References

Taxonomy Information

Curated from

NCBI taxonomy class

Reference

Glycyrrhiza glabra (#49827)

Magnoliopsida (#3398)

Selective high-performance liquid chromatographic method for the determination of glycyrrhizin and glycyrrhetic acid-3-O-glucuronide in biological fluids: application of ion-pair extraction and fluorescence labelling agent.,
J Chromatogr, 1991

Pubmed ID: 1918242

String Representations

InChiKey (Click to copy)

LPLVUJXQOOQHMX-MOGLOQIBSA-N

InChi (Click to copy)

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 (Click to copy)

C1C[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O3)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)[C@@](C)(C)[C@]2([H])CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C)(CC[C@](C)(C(O)=O)C5)CC4)=CC(=O)[C@]3([H])[C@@]12C