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CHEBI:225511 - Svalbardine A

ChEBI IDCHEBI:225511
ChEBI NameSvalbardine A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O6
Net Charge0
Average Mass302.282
Monoisotopic Mass302.07904
SMILESCOC(=O)c1cc(OC)cc2c1-c1oc(C)cc(=O)c1CO2
InChIInChI=1S/C16H14O6/c1-8-4-12(17)11-7-21-13-6-9(19-2)5-10(16(18)20-3)14(13)15(11)22-8/h4-6H,7H2,1-3H3
InChIKeyJVDBGCYLIHXISY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Poaceicola (ncbitaxon:1821268) - PubMed (33233893)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Svalbardine A (CHEBI:225511) is a methoxybenzoic acid (CHEBI:25238)
IUPAC Name 
methyl 8-methoxy-2-methyl-4-oxo-5H-pyrano[3,2-c]chromene-10-carboxylate