CHEBI:172581 - Xanthoxylol

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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 Xanthoxylol
ChEBI ID CHEBI:172581
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H20O6
Net Charge 0
Average Mass 356.374
Monoisotopic Mass 356.12599
InChI InChI=1S/C20H20O6/c1-22-17-6-11(2-4-15(17)21)19-13-8-24-20(14(13)9-23-19)12-3-5-16-18(7-12)26-10-25-16/h2-7,13-14,19-21H,8-10H2,1H3
InChIKey VBIRCRCPHNUJAS-UHFFFAOYSA-N
SMILES O1C(C2C(C(OC2)C3=CC(OC)=C(O)C=C3)C1)C4=CC=5OCOC5C=C4
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing Xanthoxylol (CHEBI:172581) is a lignan (CHEBI:25036)
IUPAC Name
4-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]-2-methoxyphenol
Manual Xrefs Databases
115586 ChemSpider
HMDB0029459 HMDB
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Registry Number Type Source
111407-29-5 CAS Registry Number ChemIDplus