Quassinol (CHEBI:172590)

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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	Quassinol

ChEBI ID	CHEBI:172590

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H24O6

Net Charge

Average Mass

360.406

Monoisotopic Mass

360.15729

InChI

InChI=1S/C20H24O6/c1-8-5-12(21)20(24)19(4)10(8)6-13-18(3)11(7-14(22)25-13)9(2)15(23)16(26-20)17(18)19/h7-8,10,13,16-17,23-24H,5-6H2,1-4H3

InChIKey

WKNPIBKVHHVICI-UHFFFAOYSA-N

SMILES

O1C2(O)C3(C4C5(C(OC(=O)C=C5C(=C(O)C14)C)CC3C(CC2=O)C)C)C

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

ChEBI Ontology
Outgoing	Quassinol (CHEBI:172590) is a quassinoid (CHEBI:72485)

IUPAC Name

5,8-dihydroxy-2,9,15,17-tetramethyl-6,13-dioxapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-8,10-diene-4,12-dione