EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175906 - 3-O-Methyluralenol

ChEBI IDCHEBI:175906
ChEBI Name3-O-Methyluralenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O7
Net Charge0
Average Mass384.384
Monoisotopic Mass384.12090
SMILESCOc1c(-c2cc(O)c(O)c(CC=C(C)C)c2)oc2cc(O)cc(O)c2c1=O
InChIInChI=1S/C21H20O7/c1-10(2)4-5-11-6-12(7-15(24)18(11)25)20-21(27-3)19(26)17-14(23)8-13(22)9-16(17)28-20/h4,6-9,22-25H,5H2,1-3H3
InChIKeyVCKYLOIMXUHPDA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-O-Methyluralenol (CHEBI:175906) is a flavones (CHEBI:24043)
IUPAC Name 
2-[3,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-5,7-dihydroxy-3-methoxychromen-4-one
Manual XrefsDatabases
4474524ChemSpider
LMPK12112721LIPID MAPS
HMDB0040837HMDB
Registry NumbersSources
CAS:150853-98-8ChemIDplus