3,4,5-trihydroxy-6-{[2-(7-oxo-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,7H-furo[3,2-g]chromen-2-yl)propan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:190903)

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CHEBI:190903 - 3,4,5-trihydroxy-6-{[2-(7-oxo-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,7H-furo[3,2-g]chromen-2-yl)propan-2-yl]oxy}oxane-2-carboxylic acid

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ChEBI ID	CHEBI:190903
ChEBI Name	3,4,5-trihydroxy-6-{[2-(7-oxo-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,7H-furo[3,2-g]chromen-2-yl)propan-2-yl]oxy}oxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C26H32O16
Net Charge	0
Average Mass	600.526
Monoisotopic Mass	600.16903
SMILES	CC(C)(OC1OC(C(=O)O)C(O)C(O)C1O)C1Cc2cc3ccc(=O)oc3c(OC3OC(CO)C(O)C(O)C3O)c2O1
InChI	InChI=1S/C26H32O16/c1-26(2,42-25-18(34)15(31)16(32)21(40-25)23(35)36)11-6-9-5-8-3-4-12(28)39-19(8)22(20(9)38-11)41-24-17(33)14(30)13(29)10(7-27)37-24/h3-5,10-11,13-18,21,24-25,27,29-34H,6-7H2,1-2H3,(H,35,36)
InChIKey	WYVZOMJJWICDBC-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Oryza sativa (ncbitaxon:4530)	root (BTO:0001188)	MetaboLights (MTBLS4362)

ChEBI Ontology

Outgoing Relation(s)
	3,4,5-trihydroxy-6-{[2-(7-oxo-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,7H-furo[3,2-g]chromen-2-yl)propan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:190903) is a coumarins (CHEBI:23403)
	3,4,5-trihydroxy-6-{[2-(7-oxo-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,3H,7H-furo[3,2-g]chromen-2-yl)propan-2-yl]oxy}oxane-2-carboxylic acid (CHEBI:190903) is a glycoside (CHEBI:24400)

IUPAC Name
3,4,5-trihydroxy-6-[2-[7-oxo-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrouro[3,2-g]chromen-2-yl]propan-2-yloxy]oxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0132931	HMDB