Simplicildone C (CHEBI:215208)

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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	Simplicildone C

ChEBI ID	CHEBI:215208

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

Submitter	MetaboLights

Supplier Information

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Formula

C20H20O6

Net Charge

Average Mass

356.374

Monoisotopic Mass

356.12599

InChI

InChI=1S/C20H20O6/c1-9-7-14-12(8-23-20(4,5)26-14)18-15(9)19(22)25-17-11(3)13(21)6-10(2)16(17)24-18/h6-7,21H,8H2,1-5H3

InChIKey

XOGWIERIESLULB-UHFFFAOYSA-N

SMILES

O=C1OC2=C(C(=CC(=C2C)O)C)OC3=C1C(=CC4=C3COC(O4)(C)C)C

Metabolite of Species	Details
Simplicillium (NCBI:txid292631)	See: PubMed

ChEBI Ontology
Outgoing	Simplicildone C (CHEBI:215208) is a aromatic ether (CHEBI:35618)

IUPAC Name

10-hydroxy-3,3,6,9,12-pentamethyl-1H-[1,3]benzodioxino[6,5-c][1,5]benzodioxepin-7-one