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8-Acetylegelolide
group of stereoisomers with the chemical formula C₁₆H₂₀O₆
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
308.12598836
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀O₆
0 references
canonical SMILES
O=C(OC1CC(O)(C2=COC(=C2C3OC(=O)C(C)C31)C)C)C
0 references
found in taxon
Achillea collina
2 references
stated in
3-oxa-guaianolides from Achillea millefolium
stated in
Qualitative and quantitative determination of sesquiterpenoids in Achillea species by reversed-phase high-performance liquid chromatography, mass-spectrometry and thin-layer chromatography
Achillea millefolium
1 reference
stated in
Chemotypes in Achillea collina based on sesquiterpene lactone profile
Identifiers
InChI
InChI=1S/C16H20O6/c1-7-12-11(21-9(3)17)5-16(4,19)10-6-20-8(2)13(10)14(12)22-15(7)18/h6-7,11-12,14,19H,5H2,1-4H3
0 references
InChIKey
KOUVNGDGNNAPQW-UHFFFAOYSA-N
0 references
PubChem CID
131752229
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
KOUVNGDGNNAPQW-UHFFFAOYSA-N
ChEBI ID
172534
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H20O6/c1-7-12-11(21-9(3)17)5-16(4,19)10-6-20-8(2)13(10)14(12)22-15(7)18/h6-7,11-12,14,19H,5H2,1-4H3
UniChem compound ID
31997923
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0037772
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KOUVNGDGNNAPQW-UHFFFAOYSA-N
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