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CHEBI:184797 - 6-[4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:184797
ChEBI Name6-[4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H26O14
Net Charge0
Average Mass550.469
Monoisotopic Mass550.13226
SMILESCOC(=O)C(Cc1ccc(OC2OC(C(=O)O)C(O)C(O)C2O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
InChIInChI=1S/C25H26O14/c1-36-24(35)17(37-18(29)7-4-11-2-5-13(26)14(27)8-11)10-12-3-6-16(15(28)9-12)38-25-21(32)19(30)20(31)22(39-25)23(33)34/h2-9,17,19-22,25-28,30-32H,10H2,1H3,(H,33,34)/b7-4+
InChIKeyKORLXFIQVAQYHX-QPJJXVBHSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-[4-(2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-3-methoxy-3-oxopropyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:184797) is a glycoside (CHEBI:24400)
IUPAC Name 
6-[4-[2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-methoxy-3-oxopropyl]-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124946HMDB