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

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ChEBI Name (2s,3s)-3,5,7-Trihydroxy-6-methyl-2-(3,4,5-trihydroxyphenyl)chroman-4-one
ChEBI ID CHEBI:182044
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H14O8
Net Charge 0
Average Mass 334.280
Monoisotopic Mass 334.06887
InChI InChI=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
InChIKey NZRLODDQFPZTPM-CVEARBPZSA-N
SMILES O1[C@H]([C@H](O)C(=O)C2=C1C=C(O)C(=C2O)C)C3=CC(O)=C(O)C(O)=C3
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing (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 Xref Database
22913023 ChemSpider
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