EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:213041 - 4-methyl-candidusin A

ChEBI IDCHEBI:213041
ChEBI Name4-methyl-candidusin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H18O6
Net Charge0
Average Mass366.369
Monoisotopic Mass366.11034
SMILESCOc1cc2oc3c(OC)c(-c4ccc(O)cc4)cc(OC)c3c2cc1O
InChIInChI=1S/C21H18O6/c1-24-17-10-16-14(8-15(17)23)19-18(25-2)9-13(20(26-3)21(19)27-16)11-4-6-12(22)7-5-11/h4-10,22-23H,1-3H3
InChIKeyQOPBYJBEUNTVLD-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (29112138)
ChEBI Ontology
Outgoing Relation(s)
4-methyl-candidusin A (CHEBI:213041) is a benzofurans (CHEBI:35259)
IUPAC Name 
7-(4-hydroxyphenyl)-3,6,9-trimethoxydibenzouran-2-ol
Manual XrefsDatabases
62816292ChemSpider