6-[(2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}-7-(3-methylbut-2-en-1-yl)-1-benzofuran-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190802)

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CHEBI:190802 - 6-[(2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}-7-(3-methylbut-2-en-1-yl)-1-benzofuran-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:190802
ChEBI Name	6-[(2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}-7-(3-methylbut-2-en-1-yl)-1-benzofuran-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C39H40O14
Net Charge	0
Average Mass	732.735
Monoisotopic Mass	732.24181
SMILES	CC(C)=CCc1c(OC2OC(C(=O)O)C(O)C(O)C2O)ccc2cc(-c3cc(O)c(C4C=C(C)CC(c5ccc(O)cc5O)C4C(=O)O)c(O)c3)oc12
InChI	InChI=1S/C39H40O14/c1-16(2)4-7-22-28(52-39-34(46)32(44)33(45)36(53-39)38(49)50)9-5-18-14-29(51-35(18)22)19-12-26(42)31(27(43)13-19)24-11-17(3)10-23(30(24)37(47)48)21-8-6-20(40)15-25(21)41/h4-6,8-9,11-15,23-24,30,32-34,36,39-46H,7,10H2,1-3H3,(H,47,48)(H,49,50)
InChIKey	AMUDNADPVPMGHQ-UHFFFAOYSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	6-[(2-{4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl}-7-(3-methylbut-2-en-1-yl)-1-benzofuran-6-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190802) is a benzofurans (CHEBI:35259)

IUPAC Name
6-[[2-[4-[6-carboxy-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-3,5-dihydroxyphenyl]-7-(3-methylbut-2-enyl)-1-benzouran-6-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0126173	HMDB