7,8-Dihydroxy-isobutyryl-thymol (CHEBI:229035)

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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	7,8-Dihydroxy-isobutyryl-thymol

ChEBI ID	CHEBI:229035

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C14H20O5

Net Charge

Average Mass

268.309

Monoisotopic Mass

268.13107

InChI

InChI=1S/C14H20O5/c1-9(2)13(17)19-8-14(3,18)11-5-4-10(7-15)6-12(11)16/h4-6,9,15-16,18H,7-8H2,1-3H3

InChIKey

OHCHAAIKJDAFAY-UHFFFAOYSA-N

SMILES

OC(C1=C(O)C=C(C=C1)CO)(COC(=O)C(C)C)C

Metabolite of Species	Details
Zea mays (NCBI:txid4577)	Found in exometabolome See: MetaboLights Study

ChEBI Ontology
Outgoing	7,8-Dihydroxy-isobutyryl-thymol (CHEBI:229035) is a benzyl alcohols (CHEBI:22743)

IUPAC Name

[2-hydroxy-2-[2-hydroxy-4-(hydroxymethyl)phenyl]propyl] 2-methylpropanoate