3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid (CHEBI:168992)

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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	3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid

ChEBI ID	CHEBI:168992

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C18H26O8

Net Charge

Average Mass

370.398

Monoisotopic Mass

370.16277

InChI

InChI=1S/C18H26O8/c1-3-11(7-4-10-5-8-12(24-2)9-6-10)25-18-15(21)13(19)14(20)16(26-18)17(22)23/h5-6,8-9,11,13-16,18-21H,3-4,7H2,1-2H3,(H,22,23)

InChIKey

XOTHYEAJKUESRZ-UHFFFAOYSA-N

SMILES

O1C(OC(CCC2=CC=C(OC)C=C2)CC)C(O)C(O)C(O)C1C(O)=O

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

ChEBI Ontology
Outgoing	3,4,5-trihydroxy-6-{[1-(4-methoxyphenyl)pentan-3-yl]oxy}oxane-2-carboxylic acid (CHEBI:168992) is a O-acyl carbohydrate (CHEBI:52782)

IUPAC Name

3,4,5-trihydroxy-6-[1-(4-methoxyphenyl)pentan-3-yloxy]oxane-2-carboxylic acid