3'-Methoxyfukiic acid (CHEBI:172518)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:172518 - 3'-Methoxyfukiic acid

Take structure to advanced search

ChEBI ID	CHEBI:172518
ChEBI Name	3'-Methoxyfukiic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C12H14O8
Net Charge	0
Average Mass	286.236
Monoisotopic Mass	286.06887
SMILES	COc1cc(CC(O)(C(=O)O)C(O)C(=O)O)ccc1O
InChI	InChI=1S/C12H14O8/c1-20-8-4-6(2-3-7(8)13)5-12(19,11(17)18)9(14)10(15)16/h2-4,9,13-14,19H,5H2,1H3,(H,15,16)(H,17,18)
InChIKey	DDSGTDZCSPMYIM-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood plasma (BTO:0000131)	MetaboLights (MTBLS2633)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	3'-Methoxyfukiic acid (CHEBI:172518) is a benzenes (CHEBI:22712)
	3'-Methoxyfukiic acid (CHEBI:172518) is a monocarboxylic acid (CHEBI:25384)

IUPAC Name
2,3-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanedioic acid

Manual Xrefs	Databases
HMDB0029498	HMDB
35013063	ChemSpider