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CHEBI:182044 - (2s,3s)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chroman-4-one

ChEBI IDCHEBI:182044
ChEBI Name(2s,3s)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chroman-4-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H14O8
Net Charge0
Average Mass334.280
Monoisotopic Mass334.06887
SMILESCc1c(O)cc2c(c1O)C(=O)[C@@H](O)[C@H](c1cc(O)c(O)c(O)c1)O2
InChIInChI=1S/C16H14O8/c1-5-7(17)4-10-11(12(5)20)14(22)15(23)16(24-10)6-2-8(18)13(21)9(19)3-6/h2-4,15-21,23H,1H3/t15-,16+/m1/s1
InChIKeyNZRLODDQFPZTPM-CVEARBPZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
ChEBI Ontology
Outgoing Relation(s)
(2s,3s)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chroman-4-one (CHEBI:182044) is a catechin (CHEBI:23053)
IUPAC Name 
(2S,3S)-3,5,7-trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)-2,3-dihydrochromen-4-one
Manual XrefsDatabases
22913023ChemSpider