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Solstitialin deriv 4700
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
0 references
mass
280.13107374
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₅
0 references
canonical SMILES
O=C1OC2C3C(=C)C(O)CC3C(=C)CCC2C1(O)CO
0 references
found in taxon
Centaurea solstitialis
1 reference
stated in
Neurotoxic Sesquiterpenoids from the Yellow Star ThistleCentaurea solstitialis L. (Asteraceae)
Identifiers
InChI
InChI=1S/C15H20O5/c1-7-3-4-10-13(20-14(18)15(10,19)6-16)12-8(2)11(17)5-9(7)12/h9-13,16-17,19H,1-6H2
0 references
InChIKey
LWOZDCFSMDBOSA-UHFFFAOYSA-N
0 references
CAS Registry Number
22738-70-1
0 references
PubChem CID
336809
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
LWOZDCFSMDBOSA-UHFFFAOYSA-N
UniChem compound ID
34204480
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90945411
1 reference
matched by identifier from
InChIKey
InChIKey
LWOZDCFSMDBOSA-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID001373729
0 references
NSC number
352264
0 references
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