EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:211487 - Aspergiside A

Default Structure
ChEBI IDCHEBI:211487
ChEBI NameAspergiside A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H20O5
Net Charge0
Average Mass328.364
Monoisotopic Mass328.13107
SMILESC/C=C(\C)c1cc(O)c(C)c(OC(=O)c2c(C)cc(O)cc2O)c1
InChIInChI=1S/C19H20O5/c1-5-10(2)13-7-15(21)12(4)17(8-13)24-19(23)18-11(3)6-14(20)9-16(18)22/h5-9,20-22H,1-4H3/b10-5+
InChIKeyOVJRTDOGXSNLMB-BJMVGYQFSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - DOI (10.1016/j.tet.2018.07.059)
ChEBI Ontology
Outgoing Relation(s)
Aspergiside A (CHEBI:211487) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
[5-[(E)-but-2-en-2-yl]-3-hydroxy-2-methylphenyl] 2,4-dihydroxy-6-methylbenzoate
Manual XrefsDatabases
78435263ChemSpider