EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200906 - Versicoumarin C

ChEBI IDCHEBI:200906
ChEBI NameVersicoumarin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H20O4
Net Charge0
Average Mass276.332
Monoisotopic Mass276.13616
SMILESCOc1c(O)cc2c(c1CC=C(C)C)C[C@@H](C)OC2=O
InChIInChI=1S/C16H20O4/c1-9(2)5-6-11-12-7-10(3)20-16(18)13(12)8-14(17)15(11)19-4/h5,8,10,17H,6-7H2,1-4H3/t10-/m1/s1
InChIKeyGBZUPJOFJRYUPJ-SNVBAGLBSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2014.09.016)
ChEBI Ontology
Outgoing Relation(s)
Versicoumarin C (CHEBI:200906) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-7-hydroxy-6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
58927845ChemSpider