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CHEBI:184749 - 3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:184749
ChEBI Name3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H28O15
Net Charge0
Average Mass592.506
Monoisotopic Mass592.14282
SMILESO=C(O)C1OC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2C2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O
InChIInChI=1S/C27H28O15/c28-8-14-17(30)19(32)21(34)24(40-14)16-13(41-27-23(36)20(33)22(35)25(42-27)26(37)38)7-12-15(18(16)31)10(29)6-11(39-12)9-4-2-1-3-5-9/h1-7,14,17,19-25,27-28,30-36H,8H2,(H,37,38)
InChIKeyAXRAEYOLEYOCPU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acid (CHEBI:184749) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-({5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-7-yl}oxy)oxane-2-carboxylic acid (CHEBI:184749) is a glucosiduronic acid (CHEBI:24302)
IUPAC Name 
3,4,5-trihydroxy-6-[5-hydroxy-4-oxo-2-phenyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127121HMDB