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> Main
CHEBI:89552 - Sinapinic acid-O-sulphate
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ChEBI Ontology
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ChEBI Name
Sinapinic acid-O-sulphate
ChEBI ID
CHEBI:89552
Stars
This entity has been manually annotated by a third party.
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Formula
C11H12O8S
Net Charge
0
Average Mass
304.275
Monoisotopic Mass
304.02529
InChI
InChI=1S/C11H12O8S/c1-
17-
8-
5-
7(6-
9(18-
2)
11(8)
13)
3-
4-
10(12)
19-
20(14,15)
16/h3-
6,13H,1-
2H3,(H,14,15,16)
/b4-
3+
InChIKey
LAHUBJBDDCZJTK-ONEGZZNKSA-N
SMILES
COC1=CC(/C=C/C(OS(=O)(=O)O)=O)=CC(OC)=C1O
Metabolite of Species
Details
Homo sapiens
(NCBI:txid9606)
Found in urine
(BTO:0001419)
. See:
PubMed
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Sinapinic acid-O-sulphate (
CHEBI:89552
)
is a
hydroxycinnamic acid (
CHEBI:24689
)
Synonym
Source
sulfo (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoate
HMDB
Manual Xref
Database
HMDB0060020
HMDB
View more database links
Citation
Type
Source
22827565
PubMed citation
Europe PMC