CHEBI:175344 - Judeol

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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 Judeol
ChEBI ID CHEBI:175344
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C23H30O7
Net Charge 0
Average Mass 418.486
Monoisotopic Mass 418.19915
InChI InChI=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
InChIKey PTVABGVMGJFKGM-GHEGTYFOSA-N
SMILES O([C@H]1C=2[C@@]([C@@]3([C@@](CC(C3)(C)C)([C@H](O)C2CO)[H])[H])(C1)C)C(=O)C=4C(=CC(O)=C(O)C4O)C
Metabolite of Species Details
Armillaria mellea (NCBI:txid47429) See: DOI
ChEBI Ontology
Outgoing 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 Xrefs Databases
161213 ChemSpider
HMDB0034607 HMDB
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Registry Number Type Source
96571-13-0 CAS Registry Number ChemIDplus