6-[4-(6-carboxy-5-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168629)

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CHEBI:168629 - 6-[4-(6-carboxy-5-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI ID	CHEBI:168629
ChEBI Name	6-[4-(6-carboxy-5-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H34O15
Net Charge	0
Average Mass	694.642
Monoisotopic Mass	694.18977
SMILES	CC1=CC(c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)C(C(=O)O)C(c2ccc(OC3OC(C(=O)O)C(O)C(O)C3O)cc2O)C1
InChI	InChI=1S/C35H34O15/c1-14-10-20(18-6-5-17(13-25(18)40)49-35-31(44)29(42)30(43)32(50-35)34(47)48)26(33(45)46)21(11-14)27-23(38)9-7-19(28(27)41)22(37)8-3-15-2-4-16(36)12-24(15)39/h2-9,11-13,20-21,26,29-32,35-36,38-44H,10H2,1H3,(H,45,46)(H,47,48)/b8-3+
InChIKey	BNHBFRVUXRCFOD-FPYGCLRLSA-N

Species of Metabolite	Component	Source	Comments
Malus domestica (ncbitaxon:3750)	exocarp (BTO:0000733)	MetaboLights (MTBLS2384)	Strain: Malus x domestica Borkh. cv. Ruixue

ChEBI Ontology

Outgoing Relation(s)
	6-[4-(6-carboxy-5-{3-[(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl}-3-methylcyclohex-3-en-1-yl)-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168629) is a chalcones (CHEBI:23086)

IUPAC Name
6-[4-[6-carboxy-5-[3-[(E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Manual Xrefs	Databases
HMDB0126414	HMDB