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(Q104386560)
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Feruloylcholine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkyl caffeate ester
0 references
mass
280.15433460409
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂NO₄⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(OCC[N+](C)(C)C)C=CC1=CC=C(O)C(OC)=C1
0 references
found in taxon
Alliaria petiolata
1 reference
stated in
Sinapine-O-β-D-glucopyranoside in seeds of Alliaria officinalis
Arabidopsis thaliana
1 reference
stated in
Metabolome analysis of biosynthetic mutants reveals a diversity of metabolic changes and allows identification of a large number of new compounds in Arabidopsis
Identifiers
InChI
InChI=1S/C15H21NO4/c1-16(2,3)9-10-20-15(18)8-6-12-5-7-13(17)14(11-12)19-4/h5-8,11H,9-10H2,1-4H3/p+1
0 references
InChIKey
XHSNXOZZHHJDDX-UHFFFAOYSA-O
0 references
CAS Registry Number
85927-25-9
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
54470093
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
131751314
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
168277
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
Human Metabolome Database ID
HMDB0032800
1 reference
based on heuristic
inferred from InChIKey
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