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(Q104955265)
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English
(3aS,9aS,9bS)-9-methyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-6-carbaldehyde
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9-Methyl-3-methylidene-2-oxo-3a,4,5,7,9a,9b-hexahydroazuleno[4,5-b]furan-6-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
244.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₃
0 references
canonical SMILES
O=CC1=C2CC=C(C)C2C3OC(=O)C(=C)C3CC1
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2[C@H]1CCC(C=O)=C1CC=C(C)[C@@H]12
0 references
found in taxon
Aucklandia costus
1 reference
stated in
Guaianolides from Saussurea lappa
Aucklandia lappa
1 reference
stated in
Guaianolides from Saussurea lappa
Saussurea costus
1 reference
stated in
Guaianolides from Saussurea lappa
Dolomiaea costus
1 reference
stated in
Guaianolides from Saussurea lappa
Identifiers
InChI
InChI=1S/C15H16O3/c1-8-3-5-12-10(7-16)4-6-11-9(2)15(17)18-14(11)13(8)12/h3,7,11,13-14H,2,4-6H2,1H3/t11-,13-,14-/m0/s1
0 references
InChIKey
CDWIZINAAVFHAS-UBHSHLNASA-N
0 references
PubChem CID
162891571
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CDWIZINAAVFHAS-UBHSHLNASA-N
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