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CHEBI:203908 - Versicoumarin B

ChEBI IDCHEBI:203908
ChEBI NameVersicoumarin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H22O4
Net Charge0
Average Mass290.359
Monoisotopic Mass290.15181
SMILESCOc1cc(OC)c2c(c1CC=C(C)C)C[C@@H](C)OC2=O
InChIInChI=1S/C17H22O4/c1-10(2)6-7-12-13-8-11(3)21-17(18)16(13)15(20-5)9-14(12)19-4/h6,9,11H,7-8H2,1-5H3/t11-/m1/s1
InChIKeyFODUBJPVKXZURU-LLVKDONJSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/j.phytol.2014.09.016)
ChEBI Ontology
Outgoing Relation(s)
Versicoumarin B (CHEBI:203908) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
(3R)-6,8-dimethoxy-3-methyl-5-(3-methylbut-2-enyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
58923305ChemSpider