6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190895)

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CHEBI:190895 - 6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:190895
ChEBI Name	6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C29H34O17
Net Charge	0
Average Mass	654.574
Monoisotopic Mass	654.17960
SMILES	CCc1ccc(C2Oc3cc(OC4OC(C(=O)O)C(O)C(O)C4O)cc(O)c3CC2O)cc1OC1OC(C(=O)O)C(O)C(O)C1O
InChI	InChI=1S/C29H34O17/c1-2-9-3-4-10(5-15(9)44-29-22(37)18(33)20(35)25(46-29)27(40)41)23-14(31)8-12-13(30)6-11(7-16(12)43-23)42-28-21(36)17(32)19(34)24(45-28)26(38)39/h3-7,14,17-25,28-37H,2,8H2,1H3,(H,38,39)(H,40,41)
InChIKey	PJEMFSWEKABRLL-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190895) is a flavonoids (CHEBI:72544)
	6-[(2-{3-[(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-4-ethylphenyl}-3,5-dihydroxy-3,4-dihydro-2H-1-benzopyran-7-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190895) is a glucosiduronic acid (CHEBI:24302)

IUPAC Name
6-[[2-[3-(6-carboxy-3,4,5-trihydroxyoxan-2-yl)oxy-4-ethylphenyl]-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0127888	HMDB