Glyceryl diorcinolic acid (CHEBI:212933)

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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	Glyceryl diorcinolic acid

ChEBI ID	CHEBI:212933

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(18(22)23)16(7-15)24-9-13(21)8-19/h3-7,13,19-21H,8-9H2,1-2H3,(H,22,23)/t13-/m0/s1

InChIKey

VJHMNXXFZIHOLJ-ZDUSSCGKSA-N

SMILES

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

Metabolite of Species	Details
Aspergillus carneus (NCBI:txid41282)	See: DOI

ChEBI Ontology
Outgoing	Glyceryl diorcinolic acid (CHEBI:212933) is a aromatic ether (CHEBI:35618)

IUPAC Name

2-(2,3-dihydroxypropoxy)-4-(3-hydroxy-5-methylphenoxy)-6-methylbenzoic acid