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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:5313 - gentiacaulein
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ChEBI Ontology
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ChEBI Name
gentiacaulein
ChEBI ID
CHEBI:5313
Definition
A member of the class of xanthones that is 9
H
-xanthen-9-one substituted by hydroxy groups at positions 2 and 8 and methoxy groups at positions 1 and 6.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C15H12O6
Net Charge
0
Average Mass
288.25220
Monoisotopic Mass
288.06339
InChI
InChI=1S/C15H12O6/c1-19-7-5-9(17)12-11(6-7)21-10-4-3-8(16)15(20-2)13(10)14(12)18/h3-6,16-17H,1-2H3
InChIKey
WYOSCUWDVFHQFY-UHFFFAOYSA-N
SMILES
COc1cc(O)c2c(c1)oc1ccc(O)c(OC)c1c2=O
Metabolite of Species
Details
Gentianopsis barbata
(NCBI:txid156522)
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
gentiacaulein (
CHEBI:5313
)
has role
plant metabolite (
CHEBI:76924
)
gentiacaulein (
CHEBI:5313
)
is a
aromatic ether (
CHEBI:35618
)
gentiacaulein (
CHEBI:5313
)
is a
polyphenol (
CHEBI:26195
)
gentiacaulein (
CHEBI:5313
)
is a
xanthones (
CHEBI:51149
)
IUPAC Name
2,8-dihydroxy-1,6-dimethoxy-9
H
-xanthen-9-one
Synonym
Source
2,8-Dihydroxy-1,6-dimethoxyxanthone
KEGG COMPOUND
Manual Xrefs
Databases
C00002952
KNApSAcK
C10064
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
15402-27-4
CAS Registry Number
KEGG COMPOUND
292628
Reaxys Registry Number
Reaxys
Citations
Types
Sources
14531031
PubMed citation
Europe PMC
14558348
PubMed citation
Europe PMC
15646999
PubMed citation
Europe PMC
25194343
PubMed citation
Europe PMC
Last Modified
03 October 2014