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(Q104399461)
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English
Anthecotulide
group of stereoisomers with the chemical formula C₁₅H₂₀O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₃
0 references
canonical SMILES
O=C1OCC(C1=C)CC=C(C)CC(=O)C=C(C)C
0 references
isomeric SMILES
C=C1C(=O)OCC1C/C=C(\C)CC(=O)C=C(C)C
1 reference
based on heuristic
inferred from InChI
found in taxon
Anthemis cotula
4 references
stated in
Anthecotulide: purification, analytical data, absence from chamomile preparations, stability and reactivity, and anti-infective testing
stated in
Biosynthesis of Anthecotuloide, an Irregular Sesquiterpene Lactone from Anthemis cotula L. (Asteraceae) via a Non-Farnesyl Diphosphate Route.
stated in
Novel Sesquiterpene Lactones from Anthemis cotula
stated in
Anthecotulide: Purification, Analytical Data, Absence from Chamomile Preparations, Stability and Reactivity, and Anti-infective Testing
Anthemis auriculata
1 reference
stated in
Inhibiting enoyl-ACP reductase (FabI) across pathogenic microorganisms by linear sesquiterpene lactones from Anthemis auriculata.
Identifiers
InChI
InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3/b11-5+
0 references
InChIKey
WSKLYRKBPFVGEJ-VZUCSPMQSA-N
0 references
PubChem CID
11962174
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WSKLYRKBPFVGEJ-VZUCSPMQSA-N
ChEBI ID
141397
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C15H20O3/c1-10(2)7-14(16)8-11(3)5-6-13-9-18-15(17)12(13)4/h5,7,13H,4,6,8-9H2,1-3H3/b11-5+
UniChem compound ID
211535
1 reference
stated in
UniChem
NMRShiftDB structure ID
20182291
1 reference
matched by identifier from
InChIKey
InChIKey
WSKLYRKBPFVGEJ-VZUCSPMQSA-N
Human Metabolome Database ID
HMDB0302733
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WSKLYRKBPFVGEJ-VZUCSPMQSA-N
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