EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198556 - Arugosin I

ChEBI IDCHEBI:198556
ChEBI NameArugosin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H20O5
Net Charge0
Average Mass340.375
Monoisotopic Mass340.13107
SMILESCC(C)=CCc1ccc(O)c(C(=O)c2c(O)cc(C)cc2C=O)c1O
InChIInChI=1S/C20H20O5/c1-11(2)4-5-13-6-7-15(22)18(19(13)24)20(25)17-14(10-21)8-12(3)9-16(17)23/h4,6-10,22-24H,5H2,1-3H3
InChIKeyKGZNOUBMMQKVJS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (18067932)
ChEBI Ontology
Outgoing Relation(s)
Arugosin I (CHEBI:198556) is a benzophenones (CHEBI:22726)
IUPAC Name 
2-[2,6-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-3-hydroxy-5-methylbenzaldehyde
Manual XrefsDatabases
27023668ChemSpider