Phyllostin (CHEBI:217016)

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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	Phyllostin

ChEBI ID	CHEBI:217016

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O6

Net Charge

Average Mass

242.227

Monoisotopic Mass

242.07904

InChI

InChI=1S/C11H14O6/c1-5-10(13)17-9-7(12)3-6(11(14)15-2)4-8(9)16-5/h3,5,7-9,12H,4H2,1-2H3/t5-,7-,8+,9+/m1/s1

InChIKey

YRHWCZIEBATYGC-ZLNHGNLKSA-N

SMILES

O=C1O[C@H]2[C@H](O)C=C(C(=O)OC)C[C@@H]2O[C@@H]1C

Metabolite of Species	Details
Phyllosticta cirsii (NCBI:txid1986016)	See: PubMed

ChEBI Ontology
Outgoing	Phyllostin (CHEBI:217016) is a dioxanes (CHEBI:46926)

IUPAC Name

methyl (2R,4aS,5R,8aS)-5-hydroxy-2-methyl-3-oxo-4a,5,8,8a-tetrahydro-1,4-benzodioxine-7-carboxylate