Photinide B (CHEBI:201189)

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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	Photinide B

ChEBI ID	CHEBI:201189

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H16O6

Net Charge

Average Mass

304.298

Monoisotopic Mass

304.09469

InChI

InChI=1S/C16H16O6/c1-8-6-12(18)22-15(8)9(7-17)16-14(19)13-10(20-2)4-3-5-11(13)21-16/h3-5,8,15,17H,6-7H2,1-2H3/b16-9+/t8-,15-/m1/s1

InChIKey

MZQDVARUQLLSGL-LOWGJXRVSA-N

SMILES

O=C/1C2=C(OC)C=CC=C2O\C1=C(\[C@@H]3OC(=O)C[C@H]3C)/CO

Metabolite of Species	Details
Pestalotiopsis photiniae (NCBI:txid289238)	See: PubMed

ChEBI Ontology
Outgoing	Photinide B (CHEBI:201189) is a benzofurans (CHEBI:35259)

IUPAC Name

(2E)-2-[2-hydroxy-1-[(2R,3R)-3-methyl-5-oxooxolan-2-yl]ethylidene]-4-methoxy-1-benzouran-3-one