6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190899)

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CHEBI:190899 - 6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Default Structure

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ChEBI ID	CHEBI:190899
ChEBI Name	6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C45H46O15
Net Charge	0
Average Mass	826.848
Monoisotopic Mass	826.28367
SMILES	CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(C)CC2c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2O)c1O
InChI	InChI=1S/C45H46O15/c1-20(2)4-10-27-31(47)13-12-28(38(27)52)39(53)36-29(26-11-9-25(19-33(26)49)59-45-42(56)40(54)41(55)43(60-45)44(57)58)14-21(3)15-30(36)37-34(50)16-22(17-35(37)51)5-6-23-7-8-24(46)18-32(23)48/h4-9,11-13,15-19,29-30,36,40-43,45-52,54-56H,10,14H2,1-3H3,(H,57,58)/b6-5+
InChIKey	ZGBAWSPUWQWWOQ-AATRIKPKSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190899) is a glycoside (CHEBI:24400)
	6-(4-{6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl}-3-hydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:190899) is a stilbenoid (CHEBI:26776)

IUPAC Name
6-[4-[6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0126264	HMDB