Lophirone I (CHEBI:185806)

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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	Lophirone I

ChEBI ID	CHEBI:185806

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C23H16O5

Net Charge

Average Mass

372.376

Monoisotopic Mass

372.09977

InChI

InChI=1S/C23H16O5/c24-16-4-1-13(2-5-16)21-10-15-9-14(3-8-20(15)27-21)22-12-19(26)18-7-6-17(25)11-23(18)28-22/h1-11,22,24-25H,12H2/t22-/m0/s1

InChIKey

FKAOXSDPCYTXNP-QFIPXVFZSA-N

SMILES

O1[C@@H](CC(=O)C2=C1C=C(O)C=C2)C3=CC4=C(OC(=C4)C5=CC=C(O)C=C5)C=C3

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	Lophirone I (CHEBI:185806) is a benzofurans (CHEBI:35259)

IUPAC Name

(2S)-7-hydroxy-2-[2-(4-hydroxyphenyl)-1-benzouran-5-yl]-2,3-dihydrochromen-4-one