6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185860)

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CHEBI:185860 - 6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:185860
ChEBI Name	6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C45H46O16
Net Charge	0
Average Mass	842.847
Monoisotopic Mass	842.27859
SMILES	CC(C)=CCc1c(O)ccc(C(=O)C2C(c3c(O)cc(/C=C/c4ccc(O)cc4O)cc3O)C=C(CO)CC2c2ccc(O)cc2O)c1OC1OC(C(=O)O)C(O)C(O)C1O
InChI	InChI=1S/C45H46O16/c1-20(2)3-9-27-31(49)12-11-28(42(27)60-45-41(57)39(55)40(56)43(61-45)44(58)59)38(54)36-29(26-10-8-25(48)18-33(26)51)13-22(19-46)14-30(36)37-34(52)15-21(16-35(37)53)4-5-23-6-7-24(47)17-32(23)50/h3-8,10-12,14-18,29-30,36,39-41,43,45-53,55-57H,9,13,19H2,1-2H3,(H,58,59)/b5-4+
InChIKey	MNKGSIPFBQAVQC-SNAWJCMRSA-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)
	6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185860) is a glycoside (CHEBI:24400)
	6-{6-[6-(2,4-dihydroxyphenyl)-2-{4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl}-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-en-1-yl)phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185860) is a stilbenoid (CHEBI:26776)

IUPAC Name
6-[6-[6-(2,4-dihydroxyphenyl)-2-[4-[(E)-2-(2,4-dihydroxyphenyl)ethenyl]-2,6-dihydroxyphenyl]-4-(hydroxymethyl)cyclohex-3-ene-1-carbonyl]-3-hydroxy-2-(3-methylbut-2-enyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0126276	HMDB