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> Main
CHEBI:133548 - 2-methoxyresorcinol sulfate
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ChEBI Name
2-methoxyresorcinol sulfate
ChEBI ID
CHEBI:133548
Definition
An aryl sulfate that is pyrogallol in which the phenolic hydrogens at positions 1 and 2 are replaced by sulfo and methyl groups respectively.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H8O6S
Net Charge
0
Average Mass
220.201
Monoisotopic Mass
220.00416
InChI
InChI=1S/C7H8O6S/c1-12-7-5(8)3-2-4-6(7)13-14(9,10)11/h2-4,8H,1H3,(H,9,10,11)
InChIKey
ARLAWMCEVZUXEY-UHFFFAOYSA-N
SMILES
C=1(C=CC=C(C1OC)OS(O)(=O)=O)O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
See:
PubMed
Roles Classification
Biological Role
(s):
human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-methoxyresorcinol sulfate (
CHEBI:133548
)
has functional parent
pyrogallol (
CHEBI:16164
)
2-methoxyresorcinol sulfate (
CHEBI:133548
)
has role
human blood serum metabolite (
CHEBI:85234
)
2-methoxyresorcinol sulfate (
CHEBI:133548
)
is a
aryl sulfate (
CHEBI:37919
)
2-methoxyresorcinol sulfate (
CHEBI:133548
)
is a
guaiacols (
CHEBI:134251
)
2-methoxyresorcinol sulfate (
CHEBI:133548
)
is conjugate acid of
2-methoxyresorcinol sulfate(1−) (
CHEBI:133550
)
Incoming
2-methoxyresorcinol sulfate(1−) (
CHEBI:133550
)
is conjugate base of
2-methoxyresorcinol sulfate (
CHEBI:133548
)
IUPAC Name
3-hydroxy-2-methoxyphenyl hydrogen sulfate
Synonyms
Sources
2-methoxyresorcinol monosulfate
ChEBI
2-methylpyrogallol 1-
O
-sulfate
ChEBI
2-methylpyrogallol 1-sulfate
ChEBI
2-methylpyrogallol monosulfate
ChEBI
2-methylpyrogallol sulfate
ChEBI
Registry Number
Type
Source
29484375
Reaxys Registry Number
Reaxys
Citation
Type
Source
7214714
PubMed citation
Europe PMC
Last Modified
12 April 2017