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)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	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 ID	CHEBI:141536

ChEBI ASCII Name	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

Stars	This entity has been manually annotated by a third party.

Submitter	Mark Williams

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Download	Molfile XML SDF

Formula

C24H28O5

Net Charge

Average Mass

396.477

Monoisotopic Mass

396.19367

InChI

InChI=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

InChIKey

HIQLOIOGTRDMIW-UHFFFAOYSA-N

SMILES

OC1C(C2C(CC1)(C(C(=CC2=O)C)COC3=CC=4OC(=O)C=CC4C=C3)C)(C)C

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via coumarin ) plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. (via coumarin )

Application(s):	fluorescent dye (via coumarin )

ChEBI Ontology
Outgoing	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)

Last Modified

06 August 2018