CHEBI:5324 - gentisin

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ChEBI Name gentisin
ChEBI ID CHEBI:5324
Definition A member of the class of xanthones that is 9H-xanthen-9-one substituted by hydroxy groups at positions 1 and 7 and a methoxy group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C14H10O5
Net Charge 0
Average Mass 258.22620
Monoisotopic Mass 258.05282
InChI InChI=1S/C14H10O5/c1-18-8-5-10(16)13-12(6-8)19-11-3-2-7(15)4-9(11)14(13)17/h2-6,15-16H,1H3
InChIKey XOXYHGOIRWABTC-UHFFFAOYSA-N
SMILES COc1cc(O)c2c(c1)oc1ccc(O)cc1c2=O
Metabolite of Species Details
Gentiana lutea (NCBI:txid38851) Found in root (BTO:0001188). See: PubMed
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.
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ChEBI Ontology
Outgoing gentisin (CHEBI:5324) has role plant metabolite (CHEBI:76924)
gentisin (CHEBI:5324) is a aromatic ether (CHEBI:35618)
gentisin (CHEBI:5324) is a polyphenol (CHEBI:26195)
gentisin (CHEBI:5324) is a xanthones (CHEBI:51149)
IUPAC Name
1,7-dihydroxy-3-methoxy-9H-xanthen-9-one
Synonym Source
1,7-Dihydroxy-3-methoxyxanthone KEGG COMPOUND
Manual Xrefs Databases
C00002954 KNApSAcK
C10066 KEGG COMPOUND
HMDB0031760 HMDB
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Registry Numbers Types Sources
384788 Reaxys Registry Number Reaxys
437-50-3 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
18064621 PubMed citation Europe PMC
23453831 PubMed citation Europe PMC
6338357 PubMed citation Europe PMC
Last Modified
03 October 2014