1alpha-O-Methylquassin (CHEBI:175241)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	1alpha-O-Methylquassin

ChEBI ID	CHEBI:175241

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H32O6

Net Charge

Average Mass

404.503

Monoisotopic Mass

404.21989

InChI

InChI=1S/C23H32O6/c1-11-8-15(26-5)21(28-7)23(4)13(11)9-16-22(3)14(10-17(24)29-16)12(2)19(27-6)18(25)20(22)23/h8,11,13-14,16,20-21H,9-10H2,1-7H3

InChIKey

YHEQIRIWAKHQFI-UHFFFAOYSA-N

SMILES

O1C2C3(C(C4(C(C2)C(C=C(OC)C4OC)C)C)C(=O)C(OC)=C(C3CC1=O)C)C

ChEBI Ontology
Outgoing	1alpha-O-Methylquassin (CHEBI:175241) is a quassinoid (CHEBI:72485)

IUPAC Name

3,4,15-trimethoxy-2,6,14,17-tetramethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-4,14-diene-11,16-dione