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CHEBI:167768 - Oregonin

ChEBI IDCHEBI:167768
ChEBI NameOregonin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O10
Net Charge0
Average Mass478.494
Monoisotopic Mass478.18390
SMILESO=C(CCc1ccc(O)c(O)c1)C[C@H](CCc1ccc(O)c(O)c1)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H30O10/c25-15(5-1-13-3-7-17(26)19(28)9-13)11-16(6-2-14-4-8-18(27)20(29)10-14)34-24-23(32)22(31)21(30)12-33-24/h3-4,7-10,16,21-24,26-32H,1-2,5-6,11-12H2/t16-,21+,22-,23+,24-/m0/s1
InChIKeyAQRNEKDRSXYJIN-IRFILORWSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Oregonin (CHEBI:167768) is a diarylheptanoid (CHEBI:78802)
IUPAC Name 
(5S)-1,7-bis(3,4-dihydroxyphenyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyheptan-3-one
Manual XrefsDatabases
22913739ChemSpider