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(Q105111243)
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English
[7-Hydroxy-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 4-acetyloxy-3-hydroxy-2-methylidenebutanoate
group of stereoisomers with the chemical formula C₂₂H₂₈O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
436.173332476
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₂₈O₉
0 references
canonical SMILES
O=C1OC2C=C(CO)CCC(O)=C(C)CC(OC(=O)C(=C)C(O)COC(=O)C)C2C1=C
0 references
found in taxon
Centaurea spinosa
1 reference
stated in
Correction to Sesquiterpene Lactones from Centaurea spinosa and Their Antibacterial and Cytotoxic Activities
Identifiers
InChI
InChI=1S/C22H28O9/c1-11-7-18(30-21(27)12(2)17(26)10-29-14(4)24)20-13(3)22(28)31-19(20)8-15(9-23)5-6-16(11)25/h8,17-20,23,25-26H,2-3,5-7,9-10H2,1,4H3
0 references
InChIKey
ICZAZMYXLQSBDI-UHFFFAOYSA-N
0 references
PubChem CID
75072073
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ICZAZMYXLQSBDI-UHFFFAOYSA-N
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