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CHEBI:49080 - marmesin

ChEBI IDCHEBI:49080
ChEBI Namemarmesin
Stars
Last Modified24 November 2016
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC14H14O4
Net Charge0
Average Mass246.262
Monoisotopic Mass246.08921
SMILESCC(C)(O)C1Cc2cc3ccc(=O)oc3cc2O1
InChIInChI=1S/C14H14O4/c1-14(2,16)12-6-9-5-8-3-4-13(15)18-10(8)7-11(9)17-12/h3-5,7,12,16H,6H2,1-2H3
InChIKeyFWYSBEAFFPBAQU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
marmesin (CHEBI:49080) is a psoralens (CHEBI:26369)
marmesin (CHEBI:49080) is a tertiary alcohol (CHEBI:26878)
Incoming Relation(s)
(+)-marmesin (CHEBI:6695) is a marmesin (CHEBI:49080)
nodakenetin (CHEBI:132623) is a marmesin (CHEBI:49080)
IUPAC Name 
2-(1-hydroxy-1-methylethyl)-2,3-dihydro-7H-furo[3,2-g]chromen-7-one
Registry NumbersSources
Beilstein:85846Beilstein
Beilstein:200868Beilstein