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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:5323 - gentisein
Main
ChEBI Ontology
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ChEBI Name
gentisein
ChEBI ID
CHEBI:5323
Definition
A member of the class of xanthones that is 9
H
-xanthen-9-one substituted by hydroxy groups at positions 1, 3 and 7.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C13H8O5
Net Charge
0
Average Mass
244.19960
Monoisotopic Mass
244.03717
InChI
InChI=1S/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
InChIKey
JJUNZBRHHGLJQW-UHFFFAOYSA-N
SMILES
Oc1ccc2oc3cc(O)cc(O)c3c(=O)c2c1
Metabolite of Species
Details
Hypericum annulatum
(NCBI:txid708052)
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
gentisein (
CHEBI:5323
)
has role
plant metabolite (
CHEBI:76924
)
gentisein (
CHEBI:5323
)
is a
polyphenol (
CHEBI:26195
)
gentisein (
CHEBI:5323
)
is a
xanthones (
CHEBI:51149
)
IUPAC Name
1,3,7-trihydroxy-9
H
-xanthen-9-one
Synonym
Source
1,3,7-Trihydroxyxanthone
KEGG COMPOUND
Manual Xrefs
Databases
C00002953
KNApSAcK
C10065
KEGG COMPOUND
HMDB0029463
HMDB
View more database links
Registry Numbers
Types
Sources
384687
Reaxys Registry Number
Reaxys
529-49-7
CAS Registry Number
KEGG COMPOUND
529-49-7
CAS Registry Number
ChemIDplus
Citations
Types
Sources
17127518
PubMed citation
Europe PMC
17260692
PubMed citation
Europe PMC
20030083
PubMed citation
Europe PMC
3889613
PubMed citation
Europe PMC
Last Modified
03 October 2014