Demethylcalabaxanthone (CHEBI:178984)

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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	Demethylcalabaxanthone

ChEBI ID	CHEBI:178984

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H22O5

Net Charge

Average Mass

378.424

Monoisotopic Mass

378.14672

InChI

InChI=1S/C23H22O5/c1-12(2)5-6-13-15(24)7-8-16-19(13)22(26)20-18(27-16)11-17-14(21(20)25)9-10-23(3,4)28-17/h5,7-11,24-25H,6H2,1-4H3

InChIKey

SDKLJUCURHMDBQ-UHFFFAOYSA-N

SMILES

O1C(C=CC2=C1C=C3OC4=C(C(=O)C3=C2O)C(CC=C(C)C)=C(O)C=C4)(C)C

ChEBI Ontology
Outgoing	Demethylcalabaxanthone (CHEBI:178984) is a xanthones (CHEBI:51149)

IUPAC Name

5,8-dihydroxy-2,2-dimethyl-7-(3-methylbut-2-enyl)pyrano[3,2-b]xanthen-6-one