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

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

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ChEBI ID	CHEBI:206580
ChEBI Name	4-carbglyceryl-3,3'-dihydroxy-5,5'-dimethyldiphenyl ether
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H20O7
Net Charge	0
Average Mass	348.351
Monoisotopic Mass	348.12090
SMILES	Cc1cc(O)cc(Oc2cc(C)c(C(=O)OC[C@@H](O)CO)c(O)c2)c1
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

Species of Metabolite	Component	Source	Comments
Aspergillus (ncbitaxon:5052)	-	PubMed (28129981)

ChEBI Ontology

Outgoing Relation(s)
	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

Manual Xrefs	Databases
61362076	ChemSpider