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CHEBI:190821 - 3,4,5-trihydroxy-6-{[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid

ChEBI IDCHEBI:190821
ChEBI Name3,4,5-trihydroxy-6-{[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H32O11
Net Charge0
Average Mass532.542
Monoisotopic Mass532.19446
SMILESCOc1cc2c(c(OC3OC(C(=O)O)C(O)C(O)C3O)c1C(=O)CCc1ccccc1)C(O)CC(C)(C)O2
InChIInChI=1S/C27H32O11/c1-27(2)12-15(29)19-17(38-27)11-16(35-3)18(14(28)10-9-13-7-5-4-6-8-13)23(19)36-26-22(32)20(30)21(31)24(37-26)25(33)34/h4-8,11,15,20-22,24,26,29-32H,9-10,12H2,1-3H3,(H,33,34)
InChIKeyHNDBQUACGRMKES-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-{[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydro-2H-1-benzopyran-5-yl]oxy}oxane-2-carboxylic acid (CHEBI:190821) is a glycoside (CHEBI:24400)
IUPAC Name 
3,4,5-trihydroxy-6-[[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0125834HMDB