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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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> Main
CHEBI:69581 - Paeonol
Main
ChEBI Ontology
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ChEBI Name
Paeonol
ChEBI ID
CHEBI:69581
Definition
A natural product found in
Paeonia rockii
subspecies
rockii
.
Stars
This entity has been manually annotated by a third party.
Secondary ChEBI IDs
CHEBI:7890
Supplier Information
ZINC000072142408
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Formulae
C9H10O3
C9H10O3
Net Charge
0
Average Mass
166.17390
Monoisotopic Mass
166.06299
InChI
InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
InChIKey
UILPJVPSNHJFIK-UHFFFAOYSA-N
SMILES
COc1ccc(C(C)=O)c(O)c1
Metabolite of Species
Details
Brassica napus
(NCBI:txid3708)
From MetaboLights See:
MetaboLights Study
Paeonia rockii
subsp.
rockii
(NCBI:txid459179)
Found in root
(BTO:0001188)
. Isolated from chloroform soluble extract of air-dried and powdered roots See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Paeonol (
CHEBI:69581
)
has role
metabolite (
CHEBI:25212
)
Paeonol (
CHEBI:69581
)
is a
methoxybenzenes (
CHEBI:51683
)
Paeonol (
CHEBI:69581
)
is a
phenols (
CHEBI:33853
)
Synonyms
Sources
1-(2-Hydroxy-4-methoxyphenyl)ethanone
ChEBI
4-O-Methylresacetophenone
ChEBI
Paeonol
KEGG COMPOUND
Manual Xrefs
Databases
C00002704
KNApSAcK
C10712
KEGG COMPOUND
LSM-24937
LINCS
View more database links
Registry Numbers
Types
Sources
552-41-0
CAS Registry Number
KEGG COMPOUND
552-41-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21954959
PubMed citation
Europe PMC
Last Modified
25 February 2016
General Comment
2014-10-17
Suggested Classification: ISA:acetophenones(CHEBI:22187); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:organic heterocyclic compound(CHEBI:24532); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854);