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(Q104983954)
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English
[(3aR,6R,6aR,9aS,9bR)-6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl]methyl acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(6a-hydroxy-9a-methyl-3-methylidene-2,9-dioxo-4,5,6,7,8,9b-hexahydro-3aH-azuleno[4,5-b]furan-6-yl)methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
322.141638424
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Tetraneurin A
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₂O₆
0 references
canonical SMILES
O=C1OC2C(C1=C)CCC(COC(=O)C)C3(O)CCC(=O)C23C
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2[C@@H]1CC[C@H](COC(C)=O)[C@]1(O)CCC(=O)[C@@]21C
0 references
found in taxon
Parthenium hysterophorus
1 reference
stated in
Charminarone, a seco-pseudoguaianolide from Parthenium hysterophorus
Identifiers
InChI
InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12-,14-,16+,17-/m1/s1
0 references
InChIKey
DKYQYDPTWYXAFT-ZEUHDDMQSA-N
0 references
PubChem CID
162848290
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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