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CHEBI:187323 - 3,4,5-trihydroxy-6-({4-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:187323
ChEBI Name3,4,5-trihydroxy-6-({4-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O12
Net Charge0
Average Mass546.525
Monoisotopic Mass546.17373
SMILESCOc1cc2c(c(OC3OC(C(=O)O)C(O)C(O)C3O)c1C(=O)/C=C/c1ccc(O)cc1)C(O)CC(C)(C)O2
InChIInChI=1S/C27H30O12/c1-27(2)11-15(30)19-17(39-27)10-16(36-3)18(14(29)9-6-12-4-7-13(28)8-5-12)23(19)37-26-22(33)20(31)21(32)24(38-26)25(34)35/h4-10,15,20-22,24,26,28,30-33H,11H2,1-3H3,(H,34,35)/b9-6+
InChIKeyTYUPIMYFJGMRBG-RMKNXTFCSA-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-({4-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-5-yl}oxy)oxane-2-carboxylic acid (CHEBI:187323) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[[4-hydroxy-6-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125809HMDB