Pyrenochaetolide A (CHEBI:199222)

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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	Pyrenochaetolide A

ChEBI ID	CHEBI:199222

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H18O7

Net Charge

Average Mass

346.335

Monoisotopic Mass

346.10525

InChI

InChI=1S/C18H18O7/c1-22-11-5-4-6-12(23-2)14(11)17-13-10(18(21)25-17)7-9(8-19)16(24-3)15(13)20/h4-7,17,19-20H,8H2,1-3H3/t17-/m0/s1

InChIKey

MNUUXJXTUTUKJJ-KRWDZBQOSA-N

SMILES

O=C1O[C@H](C2=C(OC)C=CC=C2OC)C3=C1C=C(CO)C(=C3O)OC

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

ChEBI Ontology
Outgoing	Pyrenochaetolide A (CHEBI:199222) is a benzofurans (CHEBI:35259)

IUPAC Name

(3S)-3-(2,6-dimethoxyphenyl)-4-hydroxy-6-(hydroxymethyl)-5-methoxy-3H-2-benzouran-1-one