Xylariacyclone A (CHEBI:206298)

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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	Xylariacyclone A

ChEBI ID	CHEBI:206298

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H20O8

Net Charge

Average Mass

340.328

Monoisotopic Mass

340.11582

InChI

InChI=1S/C16H20O8/c1-7-12(18)9(22-3)6-10(13(7)19)24-15-8(17)5-11(23-4)14(20)16(15,2)21/h5-6,14-15,18-21H,1-4H3/t14-,15-,16-/m0/s1

InChIKey

BXTKFJOTXLUZOE-JYJNAYRXSA-N

SMILES

O=C1C=C(OC)[C@H](O)[C@@]([C@H]1OC2=C(O)C(=C(O)C(=C2)OC)C)(O)C

Metabolite of Species	Details
Xylaria (NCBI:txid37991)	See: DOI

ChEBI Ontology
Outgoing	Xylariacyclone A (CHEBI:206298) is a methoxybenzenes (CHEBI:51683) Xylariacyclone A (CHEBI:206298) is a phenols (CHEBI:33853)

IUPAC Name

(4R,5S,6R)-6-(2,4-dihydroxy-5-methoxy-3-methylphenoxy)-4,5-dihydroxy-3-methoxy-5-methylcyclohex-2-en-1-one