Cycloneomammein (CHEBI:175943)

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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	Cycloneomammein

ChEBI ID	CHEBI:175943

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H28O6

Net Charge

Average Mass

388.460

Monoisotopic Mass

388.18859

InChI

InChI=1S/C22H28O6/c1-6-8-12-9-15(23)28-21-16(12)20-13(10-14(27-20)22(4,5)26)19(25)17(21)18(24)11(3)7-2/h9,11,14,25-26H,6-8,10H2,1-5H3

InChIKey

YVCSPVUIXKMOLW-UHFFFAOYSA-N

SMILES

O1C(CC=2C1=C3C(OC(=O)C=C3CCC)=C(C2O)C(=O)C(CC)C)C(O)(C)C

ChEBI Ontology
Outgoing	Cycloneomammein (CHEBI:175943) is a furanocoumarin (CHEBI:24128)

IUPAC Name

4-hydroxy-2-(2-hydroxypropan-2-yl)-5-(2-methylbutanoyl)-9-propyl-2,3-dihydrouro[2,3-]chromen-7-one