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CHEBI:185984 - 3,4,5-trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-5-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:185984
ChEBI Name3,4,5-trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-5-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O12
Net Charge0
Average Mass546.525
Monoisotopic Mass546.17373
SMILESCOc1cc(OC2OC(C(=O)O)C(O)C(O)C2O)c(C2CC(=O)c3ccc(O)cc3O2)c(O)c1CC=C(C)C
InChIInChI=1S/C27H30O12/c1-11(2)4-6-14-16(36-3)10-19(38-27-24(33)22(31)23(32)25(39-27)26(34)35)20(21(14)30)18-9-15(29)13-7-5-12(28)8-17(13)37-18/h4-5,7-8,10,18,22-25,27-28,30-33H,6,9H2,1-3H3,(H,34,35)
InChIKeyQEMZKSDREVQVRA-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-[3-hydroxy-2-(7-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)-5-methoxy-4-(3-methylbut-2-en-1-yl)phenoxy]oxane-2-carboxylic acid (CHEBI:185984) is a flavanones (CHEBI:28863)
IUPAC Name 
3,4,5-trihydroxy-6-[3-hydroxy-2-(7-hydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxy-4-(3-methylbut-2-enyl)phenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124794HMDB
74886502ChemSpider