Pyrenochaetoxy A (CHEBI:205392)

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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	Pyrenochaetoxy A

ChEBI ID	CHEBI:205392

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

Submitter	MetaboLights

Supplier Information

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Formula

C18H20O6

Net Charge

Average Mass

332.352

Monoisotopic Mass

332.12599

InChI

InChI=1S/C18H20O6/c1-21-13-5-4-6-14(22-2)16(13)18-15-11(9-24-18)12(20)7-10(8-19)17(15)23-3/h4-7,18-20H,8-9H2,1-3H3/t18-/m0/s1

InChIKey

SUOTVBSEGVTHRV-SFHVURJKSA-N

SMILES

O1[C@H](C2=C(OC)C=CC=C2OC)C=3C(OC)=C(CO)C=C(C3C1)O

Metabolite of Species	Details
Pyrenochaetaspecies (NCBI:txid1755437)	See: PubMed

ChEBI Ontology
Outgoing	Pyrenochaetoxy A (CHEBI:205392) is a dimethoxybenzene (CHEBI:51681)

IUPAC Name

(1S)-1-(2,6-dimethoxyphenyl)-6-(hydroxymethyl)-7-methoxy-1,3-dihydro-2-benzouran-4-ol