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CHEBI:201350 - Versicoumarin A

ChEBI IDCHEBI:201350
ChEBI NameVersicoumarin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18O5
Net Charge0
Average Mass290.315
Monoisotopic Mass290.11542
SMILESCOc1cc2c(c3c1OC(C)(C)CC3=O)C[C@@H](C)OC2=O
InChIInChI=1S/C16H18O5/c1-8-5-9-10(15(18)20-8)6-12(19-4)14-13(9)11(17)7-16(2,3)21-14/h6,8H,5,7H2,1-4H3/t8-/m1/s1
InChIKeyKWFWITMTZVXDQD-MRVPVSSYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2014.09.016)
ChEBI Ontology
Outgoing Relation(s)
Versicoumarin A (CHEBI:201350) is a 1-benzopyran (CHEBI:38443)
IUPAC Name 
(2R)-6-methoxy-2,8,8-trimethyl-2,9-dihydro-1H-pyrano[4,3-]chromene-4,10-dione
Manual XrefsDatabases
58923304ChemSpider