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> Main
CHEBI:69013 - alphitonin
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ChEBI Ontology
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ChEBI Name
alphitonin
ChEBI ID
CHEBI:69013
Definition
A hydroxyaurone that is aurone substituted by hydroxy groups at positions 2, 4, 6, 3' and 4' respectively. It has been isolated from
Alphitonia excelsa
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Molfile
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Molfile
Formula
C15H12O7
Net Charge
0
Average Mass
304.25160
Monoisotopic Mass
304.05830
InChI
InChI=1S/C15H12O7/c16-
8-
4-
11(19)
13-
12(5-
8)
22-
15(21,14(13)
20)
6-
7-
1-
2-
9(17)
10(18)
3-
7/h1-
5,16-
19,21H,6H2
InChIKey
VCLACNNZBMRRES-UHFFFAOYSA-N
SMILES
Oc1cc2OC(O)(Cc3ccc(O)c(O)c3)C(=O)c2c(O)c1
Metabolite of Species
Details
Alphitonia excelsa
(NCBI:txid106658)
Found in xylem
(BTO:0001468)
. Previous component: wood; 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
alphitonin (
CHEBI:69013
)
has functional parent
aurone (
CHEBI:47964
)
alphitonin (
CHEBI:69013
)
has role
plant metabolite (
CHEBI:76924
)
alphitonin (
CHEBI:69013
)
is a
hydroxyaurone (
CHEBI:85970
)
IUPAC Name
2-[(3,4-dihydroxyphenyl)methyl]-2,4,6-trihydroxy-1-benzofuran-3(2
H
)-one
Manual Xref
Database
LMPK12130073
LIPID MAPS
View more database links
Registry Number
Type
Source
312492
Reaxys Registry Number
Reaxys
Citation
Type
Source
21992235
PubMed citation
Europe PMC
Last Modified
09 June 2015