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> Main
CHEBI:133565 - umbelliferone sulfate
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ChEBI Ontology
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ChEBI Name
umbelliferone sulfate
ChEBI ID
CHEBI:133565
Definition
A member of the class of coumarins that is umbelliferone in which the phenolic hydrogen has been replaced by a sulfo group.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C9H6O6S
Net Charge
0
Average Mass
242.207
Monoisotopic Mass
241.98851
InChI
InChI=1S/C9H6O6S/c10-9-4-2-6-1-3-7(5-8(6)14-9)15-16(11,12)13/h1-5H,(H,11,12,13)
InChIKey
LJOOSFYJELZGMR-UHFFFAOYSA-N
SMILES
OS(OC=1C=C2OC(C=CC2=CC1)=O)(=O)=O
Metabolite of Species
Details
Mus musculus
(NCBI:txid10090)
See:
PubMed
Homo sapiens
(NCBI:txid9606)
Found in urine See:
PubMed
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
human urinary metabolite
Any metabolite (endogenous or exogenous) found in human urine samples.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (
Mus musculus
).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
umbelliferone sulfate (
CHEBI:133565
)
has functional parent
umbelliferone (
CHEBI:27510
)
umbelliferone sulfate (
CHEBI:133565
)
has role
human urinary metabolite (
CHEBI:84087
)
umbelliferone sulfate (
CHEBI:133565
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
umbelliferone sulfate (
CHEBI:133565
)
has role
mouse metabolite (
CHEBI:75771
)
umbelliferone sulfate (
CHEBI:133565
)
is a
aryl sulfate (
CHEBI:37919
)
umbelliferone sulfate (
CHEBI:133565
)
is a
coumarins (
CHEBI:23403
)
umbelliferone sulfate (
CHEBI:133565
)
is conjugate acid of
umbelliferone sulfate(1−) (
CHEBI:133567
)
Incoming
4-methylumbelliferone sulfate (
CHEBI:1905
)
has functional parent
umbelliferone sulfate (
CHEBI:133565
)
umbelliferone sulfate(1−) (
CHEBI:133567
)
is conjugate base of
umbelliferone sulfate (
CHEBI:133565
)
IUPAC Name
2-oxo-2
H
-1-benzopyran-7-yl hydrogen sulfate
Synonyms
Sources
7-hydroxycoumarin sulfate
ChEBI
7-Hydroxycoumarin sulfate ester
ChemIDplus
7-sulfooxycoumarin
ChEBI
Registry Numbers
Types
Sources
21797
Reaxys Registry Number
Reaxys
69526-88-1
CAS Registry Number
ChemIDplus
Citation
Type
Source
9800648
PubMed citation
Europe PMC
Last Modified
20 August 2019