5-(3'-methyl-2'-butenyl)-2-hydroxy-3-methoxy-4-methylbenzoic acid (CHEBI:203233)

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CHEBI:203233 - 5-(3'-methyl-2'-butenyl)-2-hydroxy-3-methoxy-4-methylbenzoic acid

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ChEBI ID	CHEBI:203233
ChEBI Name	5-(3'-methyl-2'-butenyl)-2-hydroxy-3-methoxy-4-methylbenzoic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C14H18O4
Net Charge	0
Average Mass	250.294
Monoisotopic Mass	250.12051
SMILES	COc1c(C)c(CC=C(C)C)cc(C(=O)O)c1O
InChI	InChI=1S/C14H18O4/c1-8(2)5-6-10-7-11(14(16)17)12(15)13(18-4)9(10)3/h5,7,15H,6H2,1-4H3,(H,16,17)
InChIKey	YDKJPCIHBDXAFA-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Pestalotiopsis photiniae (ncbitaxon:289238)	-	PubMed (21915132)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	5-(3'-methyl-2'-butenyl)-2-hydroxy-3-methoxy-4-methylbenzoic acid (CHEBI:203233) is a methoxybenzoic acid (CHEBI:25238)

IUPAC Name
2-hydroxy-3-methoxy-4-methyl-5-(3-methylbut-2-enyl)benzoic acid

Manual Xrefs	Databases
78434756	ChemSpider