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(Q105209016)
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English
(3,6,9-Trimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-(hydroxymethyl)prop-2-enoate
group of stereoisomers with the chemical formula C₁₉H₂₂O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
330.146723804
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₅
0 references
canonical SMILES
O=C(OC1CC(=C)C2CCC(=C)C2C3OC(=O)C(=C)C13)C(=C)CO
0 references
found in taxon
Centaurea axillaris
2 references
stated in
Subexpinnatin, a new guaianolide from Centaurea canariensis
stated in
Guaianolides from Centaurea canariensis
Identifiers
InChI
InChI=1S/C19H22O5/c1-9-5-6-13-10(2)7-14(23-18(21)11(3)8-20)16-12(4)19(22)24-17(16)15(9)13/h13-17,20H,1-8H2
0 references
InChIKey
PHJYCLCTXRJHJZ-UHFFFAOYSA-N
0 references
PubChem CID
162996612
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PHJYCLCTXRJHJZ-UHFFFAOYSA-N
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