6-[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168468)

EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168468 - 6-[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Take structure to advanced search

ChEBI ID	CHEBI:168468
ChEBI Name	6-[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H26O17
Net Charge	0
Average Mass	610.477
Monoisotopic Mass	610.11700
SMILES	O=C(O)C1OC(Oc2cc(-c3oc4cc(O)cc(O)c4c(=O)c3OC3OC(CO)C(O)C3O)ccc2O)C(O)C(O)C1O
InChI	InChI=1S/C26H26O17/c27-6-13-15(31)19(35)25(41-13)42-22-16(32)14-10(30)4-8(28)5-12(14)39-21(22)7-1-2-9(29)11(3-7)40-26-20(36)17(33)18(34)23(43-26)24(37)38/h1-5,13,15,17-20,23,25-31,33-36H,6H2,(H,37,38)
InChIKey	CQADUXCVCLRQQJ-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	6-[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168468) is a flavonoids (CHEBI:72544)
	6-[5-(3-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-5,7-dihydroxy-4-oxo-4H-chromen-2-yl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168468) is a β-D-glucosiduronic acid (CHEBI:15341)

IUPAC Name
6-[5-[3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-5,7-dihydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0132725	HMDB