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CHEBI:82911 - thymol sulfate
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ChEBI Name
thymol sulfate
ChEBI ID
CHEBI:82911
Definition
An organic sulfate of thymol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H14O4S
Net Charge
0
Average Mass
230.28100
Monoisotopic Mass
230.06128
InChI
InChI=1S/C10H14O4S/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13/h4-7H,1-3H3,(H,11,12,13)
InChIKey
NODSEPOUFZPJEQ-UHFFFAOYSA-N
SMILES
CC(C)c1ccc(C)cc1OS(O)(=O)=O
Roles Classification
Biological Role
(s):
human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
thymol sulfate (
CHEBI:82911
)
has functional parent
thymol (
CHEBI:27607
)
thymol sulfate (
CHEBI:82911
)
has role
human xenobiotic metabolite (
CHEBI:76967
)
thymol sulfate (
CHEBI:82911
)
is a
aryl sulfate (
CHEBI:37919
)
thymol sulfate (
CHEBI:82911
)
is a
monoterpenoid (
CHEBI:25409
)
thymol sulfate (
CHEBI:82911
)
is conjugate acid of
thymol sulfate(1−) (
CHEBI:133663
)
Incoming
thymol sulfate(1−) (
CHEBI:133663
)
is conjugate base of
thymol sulfate (
CHEBI:82911
)
IUPAC Name
5-methyl-2-(propan-2-yl)phenyl hydrogen sulfate
Registry Number
Type
Source
3312332
Reaxys Registry Number
Reaxys
Citations
Types
Sources
11863281
PubMed citation
Europe PMC
12092740
PubMed citation
Europe PMC
22939267
PubMed citation
Europe PMC
Last Modified
06 October 2016