4-carbglyceryl-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether (CHEBI:206580)

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	4-carbglyceryl-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether

ChEBI ID	CHEBI:206580

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H20O7

Net Charge

Average Mass

348.351

Monoisotopic Mass

348.12090

InChI

InChI=1S/C18H20O7/c1-10-3-12(20)6-14(4-10)25-15-5-11(2)17(16(22)7-15)18(23)24-9-13(21)8-19/h3-7,13,19-22H,8-9H2,1-2H3/t13-/m0/s1

InChIKey

IJWLNMJZIYNUSN-ZDUSSCGKSA-N

SMILES

O=C(OC[C@@H](O)CO)C1=C(O)C=C(OC2=CC(O)=CC(=C2)C)C=C1C

Metabolite of Species	Details
Aspergillus (NCBI:txid5052)	See: PubMed

ChEBI Ontology
Outgoing	4-carbglyceryl-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether (CHEBI:206580) is a aromatic ether (CHEBI:35618)

IUPAC Name

2,3-dihydroxypropyl 2-hydroxy-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoate