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(Q105134496)
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English
4-hydroxy-3,6,10-trimethyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
group of stereoisomers with the chemical formula C₂₁H₃₂O₉
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Statements
instance of
group of stereoisomers
0 references
subclass of
germacrane sesquiterpenoid
1 reference
inferred from
germacrane sesquiterpenoid
mass
428.204632604
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₂O₉
0 references
canonical SMILES
O=C1OC2C=C(C)C(OC3OC(CO)C(O)C(O)C3O)CC=C(C)CC(O)C2C1C
0 references
found in taxon
Cichorium intybus
1 reference
stated in
Sesquiterpenes from the roots of Cichorium endivia
Identifiers
InChI
InChI=1S/C21H32O9/c1-9-4-5-13(29-21-19(26)18(25)17(24)15(8-22)30-21)10(2)7-14-16(12(23)6-9)11(3)20(27)28-14/h4,7,11-19,21-26H,5-6,8H2,1-3H3
0 references
InChIKey
JSOWYWSOJSNXRV-UHFFFAOYSA-N
0 references
PubChem CID
156602796
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JSOWYWSOJSNXRV-UHFFFAOYSA-N
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