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(Q105252083)
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Echinatine
group of stereoisomers with the chemical formula C₁₅H₂₅NO₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
pyrrolizidine alkaloid
1 reference
inferred from
pyrrolizidine alkaloid
mass
299.1732729
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₅NO₅
0 references
canonical SMILES
O=C(OCC1=CCN2CCC(O)C12)C(O)(C(O)C)C(C)C
0 references
found in taxon
Eupatorium compositifolium
2 references
stated in
THE ALKALOIDS OF EUPATORIUM MACULATUM L.
stated in
Dammaradienyl acetate and taraxasterol from Eupatorium cannabinum: Mass spectrometric study of dammaradienyl acetate and its derivatives
Eupatorium altissimum
2 references
stated in
THE ALKALOIDS OF EUPATORIUM MACULATUM L.
stated in
Dammaradienyl acetate and taraxasterol from Eupatorium cannabinum: Mass spectrometric study of dammaradienyl acetate and its derivatives
Eupatorium fortunei
2 references
stated in
Dammaradienyl acetate and taraxasterol from Eupatorium cannabinum: Mass spectrometric study of dammaradienyl acetate and its derivatives
stated in
THE ALKALOIDS OF EUPATORIUM MACULATUM L.
Critonia portoricensis
3 references
stated in
Dammaradienyl acetate and taraxasterol from Eupatorium cannabinum: Mass spectrometric study of dammaradienyl acetate and its derivatives
stated in
THE ALKALOIDS OF EUPATORIUM MACULATUM L.
stated in
Pyrrolizidine alkaloids from critonia morifolia
Amsinckia menziesii var. intermedia
1 reference
stated in
The alkaloids of Amsinckia species: A. intermedia Fisch. & Mey., A. hispida (Ruiz. & Pav.) Johnst. and A. lycopsoides Lehm
Identifiers
InChI
InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
0 references
InChIKey
SFVVQRJOGUKCEG-UHFFFAOYSA-N
0 references
PubChem CID
22384
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SFVVQRJOGUKCEG-UHFFFAOYSA-N
ChEBI ID
182293
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H25NO5/c1-9(2)15(20,10(3)17)14(19)21-8-11-4-6-16-7-5-12(18)13(11)16/h4,9-10,12-13,17-18,20H,5-8H2,1-3H3
UniChem compound ID
32059268
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR310570
1 reference
InChIKey
SFVVQRJOGUKCEG-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
DSSTox substance ID
DTXSID60864145
1 reference
matched by identifier from
InChIKey
InChIKey
SFVVQRJOGUKCEG-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0253457
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SFVVQRJOGUKCEG-UHFFFAOYSA-N
Probes And Drugs ID
PD093743
0 references
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