CHEBI:168613 - 28-Hydroxyglycyrrhetic 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 28-Hydroxyglycyrrhetic acid
ChEBI ID CHEBI:168613
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H46O5
Net Charge 0
Average Mass 486.693
Monoisotopic Mass 486.33452
InChI InChI=1S/C30H46O5/c1-25(2)21-7-10-29(6)23(27(21,4)9-8-22(25)33)20(32)15-18-19-16-26(3,24(34)35)11-13-30(19,17-31)14-12-28(18,29)5/h15,19,21-23,31,33H,7-14,16-17H2,1-6H3,(H,34,35)
InChIKey CWCIIDUCIPKOCX-UHFFFAOYSA-N
SMILES OC1C(C2C(C3C(C4(C(C5C(CC4)(CCC(C5)(C)C(O)=O)CO)=CC3=O)C)(CC2)C)(CC1)C)(C)C
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 28-Hydroxyglycyrrhetic acid (CHEBI:168613) is a triterpenoid (CHEBI:36615)
IUPAC Name
10-hydroxy-4a-(hydroxymethyl)-2,6a,6b,9,9,12a-hexamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid
Manual Xrefs Databases
35013887 ChemSpider
HMDB0035259 HMDB
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