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(Q105373425)
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English
4-Hydroxy-3,6-dimethyl-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
group of stereoisomers with the chemical formula C₂₁H₂₈O₁₀
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Statements
instance of
group of stereoisomers
0 references
subclass of
guaiane sesquiterpenoid
1 reference
inferred from
guaiane sesquiterpenoid
mass
440.168247096
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₈O₁₀
0 references
canonical SMILES
O=C1C=C(COC2OC(CO)C(O)C(O)C2O)C3C1=C(C)CC(O)C4C3OC(=O)C4C
0 references
found in taxon
Cichorium endivia
2 references
stated in
Guaianolides from Cichorium intybus and structure revision of Cichorium sesquiterpene lactones
stated in
Sesquiterpene lactones from Cichorium endivia L. and C. intybus L. and cytotoxic activity
Cichorium intybus
1 reference
stated in
Sesquiterpenes from the roots of Cichorium endivia
Identifiers
InChI
InChI=1S/C21H28O10/c1-7-3-10(23)14-8(2)20(28)31-19(14)15-9(4-11(24)13(7)15)6-29-21-18(27)17(26)16(25)12(5-22)30-21/h4,8,10,12,14-19,21-23,25-27H,3,5-6H2,1-2H3
0 references
InChIKey
ZEMSXERQBUSFBA-UHFFFAOYSA-N
0 references
PubChem CID
14138129
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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