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CHEBI:175344 - Judeol

ChEBI IDCHEBI:175344
ChEBI NameJudeol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H30O7
Net Charge0
Average Mass418.486
Monoisotopic Mass418.19915
SMILES[H][C@]12CC(C)(C)C[C@@]1([H])[C@H](O)C(CO)=C1[C@H](OC(=O)c3c(C)cc(O)c(O)c3O)C[C@@]12C
InChIInChI=1S/C23H30O7/c1-10-5-14(25)19(27)20(28)16(10)21(29)30-15-8-23(4)13-7-22(2,3)6-11(13)18(26)12(9-24)17(15)23/h5,11,13,15,18,24-28H,6-9H2,1-4H3/t11-,13+,15-,18+,23-/m1/s1
InChIKeyPTVABGVMGJFKGM-GHEGTYFOSA-N
Species of MetaboliteComponentSourceComments
Armillaria mellea (ncbitaxon:47429) - DOI (10.1021/np50037a002)
ChEBI Ontology
Outgoing Relation(s)
Judeol (CHEBI:175344) is a benzoate ester (CHEBI:36054)
Judeol (CHEBI:175344) is a sesquiterpenoid (CHEBI:26658)
IUPAC Names 
[(2R,4S,4aR,7aS,7bR)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate
[(2R,4S,7bS)-4-hydroxy-3-(hydroxymethyl)-6,6,7b-trimethyl-2,4,4a,5,7,7a-hexahydro-1H-cyclobuta[e]inden-2-yl] 2,3,4-trihydroxy-6-methylbenzoate
Manual XrefsDatabases
161213ChemSpider
HMDB0034607HMDB
Registry NumbersSources
CAS:96571-13-0ChemIDplus