EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172581 - Xanthoxylol

ChEBI IDCHEBI:172581
ChEBI NameXanthoxylol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O6
Net Charge0
Average Mass356.374
Monoisotopic Mass356.12599
SMILESCOc1cc(C2OCC3C(c4ccc5c(c4)OCO5)OCC23)ccc1O
InChIInChI=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
InChIKeyVBIRCRCPHNUJAS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
115586ChemSpider
HMDB0029459HMDB
Registry NumbersSources
CAS:111407-29-5ChemIDplus