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(Q82087752)
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English
Aguerin A
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
332.162373868
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₄O₅
0 references
canonical SMILES
O=C1OC2C(C1=C)C(OC(=O)C(C)C)CC(=C)C3CC(O)C(=C)C23
0 references
isomeric SMILES
C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12
0 references
found in taxon
Centaurea salonitana
1 reference
stated in
Sesquiterpene Lactones of Centaurea salonitana
Allagopappus dichotomus
1 reference
stated in
Sesquiterpene Lactones and Other Constituents of Allagopappus Species
Cheirolophus junonianus
1 reference
stated in
Distribution of sesquiterpene lactones in Cheirolophus from the Canary Islands
Cheirolophus metlesicsii
1 reference
stated in
Distribution of sesquiterpene lactones in Cheirolophus from the Canary Islands
Cheirolophus teydis
1 reference
stated in
Distribution of sesquiterpene lactones in Cheirolophus from the Canary Islands
Saussurea amurensis
1 reference
stated in
Guaianolides of Saussurea amurensis
Hemisteptia lyrata
1 reference
stated in
Guaianolides from Saussurea affinis
Brachylaena huillensis
1 reference
stated in
Guaianolides from Taeckholmia species
Identifiers
InChI
InChI=1S/C19H24O5/c1-8(2)18(21)23-14-6-9(3)12-7-13(20)10(4)15(12)17-16(14)11(5)19(22)24-17/h8,12-17,20H,3-7H2,1-2H3/t12?,13-,14?,15?,16?,17+/m0/s1
0 references
InChIKey
KCMNJMYYSFJSAZ-XIZJWTTESA-N
0 references
CAS Registry Number
68370-46-7
0 references
PubChem CID
354589
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
59221041
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80326639
0 references
DSSTOX compound identifier
DTXCID20277752
0 references
NSC number
606744
0 references
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