Feruloyl glucose (CHEBI:176353)

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CHEBI:176353 - Feruloyl glucose

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ChEBI ID	CHEBI:176353
ChEBI Name	Feruloyl glucose
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H20O9
Net Charge	0
Average Mass	356.327
Monoisotopic Mass	356.11073
SMILES	COc1cc(/C=C/C(=O)C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)ccc1O
InChI	InChI=1S/C16H20O9/c1-25-12-6-8(2-4-9(12)18)3-5-10(19)13(21)15(23)16(24)14(22)11(20)7-17/h2-6,11,14-18,20,22-24H,7H2,1H3/b5-3+/t11-,14-,15+,16+/m1/s1
InChIKey	FWHJRKHBZLMKQW-DZLOKQDQSA-N

Species of Metabolite	Component	Source	Comments
Zea mays (ncbitaxon:4577)	leaf (BTO:0000713)	MetaboLights (MTBLS2566)

Roles Classification

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

ChEBI Ontology

Outgoing Relation(s)
	Feruloyl glucose (CHEBI:176353) is a hydroxycinnamic acid (CHEBI:24689)

IUPAC Name
(E,5R,6S,7R,8R)-5,6,7,8,9-pentahydroxy-1-(4-hydroxy-3-methoxyphenyl)non-1-ene-3,4-dione

Manual Xrefs	Databases
26336946	ChemSpider