3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-2-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid (CHEBI:185460)

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CHEBI:185460 - 3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-2-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid

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ChEBI ID	CHEBI:185460
ChEBI Name	3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-2-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C31H38O11
Net Charge	0
Average Mass	586.634
Monoisotopic Mass	586.24141
SMILES	CC(C)=CCc1cc(CC(O)C(=O)c2cc(CC=C(C)C)c(OC3OC(C(=O)O)C(O)C(O)C3O)cc2O)ccc1O
InChI	InChI=1S/C31H38O11/c1-15(2)5-8-18-11-17(7-10-21(18)32)12-23(34)25(35)20-13-19(9-6-16(3)4)24(14-22(20)33)41-31-28(38)26(36)27(37)29(42-31)30(39)40/h5-7,10-11,13-14,23,26-29,31-34,36-38H,8-9,12H2,1-4H3,(H,39,40)
InChIKey	WRZIGJWOMHXDQO-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS3750)	Strain: C57BL/6 Mouse [NCIT:C14424]

ChEBI Ontology

Outgoing Relation(s)
	3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-2-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid (CHEBI:185460) is a flavonoids (CHEBI:72544)
	3,4,5-trihydroxy-6-(5-hydroxy-4-{2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoyl}-2-(3-methylbut-2-en-1-yl)phenoxy)oxane-2-carboxylic acid (CHEBI:185460) is a glycoside (CHEBI:24400)

IUPAC Name
3,4,5-trihydroxy-6-[5-hydroxy-4-[2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propanoyl]-2-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0133199	HMDB