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CHEBI:141536 - 7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methoxy]-2H-chromen-2-one

ChEBI IDCHEBI:141536
ChEBI Name7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methoxy]-2H-chromen-2-one
Stars
ASCII Name7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methoxy]-2H-chromen-2-one
Last Modified6 August 2018
Submittermwilliams
DownloadsMolfile
FormulaC24H28O5
Net Charge0
Average Mass396.483
Monoisotopic Mass396.19367
SMILESCC1=CC(=O)C2C(C)(C)C(O)CCC2(C)C1COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C24H28O5/c1-14-11-18(25)22-23(2,3)20(26)9-10-24(22,4)17(14)13-28-16-7-5-15-6-8-21(27)29-19(15)12-16/h5-8,11-12,17,20,22,26H,9-10,13H2,1-4H3
InChIKeyHIQLOIOGTRDMIW-UHFFFAOYSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
ChEBI Ontology
Outgoing Relation(s)
7-[(6-hydroxy-2,5,5,8a-tetramethyl-4-oxo-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl)methoxy]-2H-chromen-2-one (CHEBI:141536) is a coumarin (CHEBI:28794)
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