CHEBI:191835 - Liquiritic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Liquiritic acid
ChEBI ID CHEBI:191835
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O4
Net Charge 0
Average Mass 470.694
Monoisotopic Mass 470.33961
InChI InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,26+,27+,28-,29+,30+/m0/s1
InChIKey MPDGHEJMBKOTSU-IDZWEYSVSA-N
SMILES O[C@@H]1C([C@]2([C@@]([C@@]3([C@]([C@]4(C([C@]5([C@@](CC4)(CC[C@@](C5)(C)C(O)=O)C)[H])=CC3=O)C)(CC2)C)[H])(CC1)C)[H])(C)C
Metabolite of Species Details
Ulmus parvifolia (NCBI:txid63058) Found in seed (BTO:0001226). See: MetaboLights Study
Ulmus parvifolia (NCBI:txid63058) Found in bark (BTO:0001301). See: MetaboLights Study
ChEBI Ontology
Outgoing Liquiritic acid (CHEBI:191835) is a triterpenoid (CHEBI:36615)
IUPAC Name
(2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Manual Xrefs Databases
100505 ChemSpider
HMDB0035788 HMDB
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Registry Number Type Source
10379-72-3 CAS Registry Number ChemIDplus