Calabaxanthone (CHEBI:172627)

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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	Calabaxanthone

ChEBI ID	CHEBI:172627

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C24H24O5

Net Charge

Average Mass

392.451

Monoisotopic Mass

392.16237

InChI

InChI=1S/C24H24O5/c1-13(2)6-7-14-16(27-5)8-9-17-20(14)23(26)21-19(28-17)12-18-15(22(21)25)10-11-24(3,4)29-18/h6,8-12,25H,7H2,1-5H3

InChIKey

PLKQPRRVFTZBAE-UHFFFAOYSA-N

SMILES

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

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

ChEBI Ontology
Outgoing	Calabaxanthone (CHEBI:172627) is a xanthones (CHEBI:51149)

IUPAC Name

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