CHEBI:167768 - Oregonin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Oregonin
ChEBI ID CHEBI:167768
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H30O10
Net Charge 0
Average Mass 478.494
Monoisotopic Mass 478.18390
InChI InChI=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
InChIKey AQRNEKDRSXYJIN-IRFILORWSA-N
SMILES O([C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)[C@@H](CCC2=CC(O)=C(O)C=C2)CC(=O)CCC3=CC(O)=C(O)C=C3
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via diarylheptanoid )
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ChEBI Ontology
Outgoing 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 Xref Database
22913739 ChemSpider
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