1-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propane-1,3-diol (CHEBI:189805)

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ChEBI Name	1-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propane-1,3-diol

ChEBI ID	CHEBI:189805

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H16O5

Net Charge

Average Mass

312.321

Monoisotopic Mass

312.09977

InChI

InChI=1S/C18H16O5/c19-6-5-14(20)11-1-3-15-13(7-11)9-17(23-15)12-2-4-16-18(8-12)22-10-21-16/h1-4,7-9,14,19-20H,5-6,10H2

InChIKey

SYSZLYFEISZAME-UHFFFAOYSA-N

SMILES

O1C2=C(C=C(C(O)CCO)C=C2)C=C1C3=CC=4OCOC4C=C3

Metabolite of Species	Details
Sarcophaga peregrina (NCBI:txid7386)	Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	1-[2-(2H-1,3-benzodioxol-5-yl)-1-benzofuran-5-yl]propane-1,3-diol (CHEBI:189805) is a benzofurans (CHEBI:35259)

IUPAC Name

1-[2-(1,3-benzodioxol-5-yl)-1-benzouran-5-yl]propane-1,3-diol