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CHEBI:191958 - 18alpha-Hydroxyglycyrrhetic acid

Default Structure
ChEBI IDCHEBI:191958
ChEBI Name18alpha-Hydroxyglycyrrhetic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H46O5
Net Charge0
Average Mass486.693
Monoisotopic Mass486.33452
SMILESCC1(C(=O)O)CCC2(C)CCC3(C)C(=CC(=O)C4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1
InChIInChI=1S/C30H46O5/c1-24(2)19-8-11-29(7)22(27(19,5)10-9-21(24)32)18(31)16-20-28(29,6)15-14-26(4)13-12-25(3,23(33)34)17-30(20,26)35/h16,19,21-22,32,35H,8-15,17H2,1-7H3,(H,33,34)
InChIKeyFCVHQYZUEPQNJU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
18alpha-Hydroxyglycyrrhetic acid (CHEBI:191958) is a triterpenoid (CHEBI:36615)
IUPAC Name 
10,14b-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,3,4,5,6,6a,7,8,8a,10,11,12-dodecahydropicene-2-carboxylic acid
Manual XrefsDatabases
35014951ChemSpider
HMDB0040499HMDB