Methyl 2-hydroxy-4-methoxy-6-pentylbenzoate (CHEBI:214522)

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CHEBI:214522 - Methyl 2-hydroxy-4-methoxy-6-pentylbenzoate

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ChEBI ID	CHEBI:214522
ChEBI Name	Methyl 2-hydroxy-4-methoxy-6-pentylbenzoate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H20O4
Net Charge	0
Average Mass	252.310
Monoisotopic Mass	252.13616
SMILES	CCCCCc1cc(OC)cc(O)c1C(=O)OC
InChI	InChI=1S/C14H20O4/c1-4-5-6-7-10-8-11(17-2)9-12(15)13(10)14(16)18-3/h8-9,15H,4-7H2,1-3H3
InChIKey	SQMVTRKKWFHTDH-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Pertusaria (ncbitaxon:50932)	-	DOI (10.1007/s10600-020-02936-0)

Roles Classification

Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).

ChEBI Ontology

Outgoing Relation(s)
	Methyl 2-hydroxy-4-methoxy-6-pentylbenzoate (CHEBI:214522) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
methyl 2-hydroxy-4-methoxy-6-pentylbenzoate