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(Q105202828)
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English
Frutescin-Chrysanthemum segetum (corn marigold)
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-Methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde
1 reference
based on heuristic
inferred from SMILES
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(3aS,5E,9E,11aR)-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(3aR,5E,9E,11aS)-6-methyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-10-carbaldehyde
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=CC1=CCCC(=CCC2C(=C)C(=O)OC2C1)C
0 references
isomeric SMILES
C=C1C(=O)O[C@H]2C/C(C=O)=C\CC/C(C)=C\C[C@H]12
0 references
found in taxon
Argyranthemum adauctum
1 reference
stated in
Sesquiterpenes and acetylenes from Argyranthemum adauctum ssp. jacobaeifolium
Argyranthemum foeniculaceum
1 reference
stated in
Distribution of acetylenes and sesquiterpene lactones in Argyranthemum from tenerife
Marguerite daisy
1 reference
stated in
Distribution of acetylenes and sesquiterpene lactones in Argyranthemum from tenerife
Argyranthemum gracile
1 reference
stated in
Distribution of acetylenes and sesquiterpene lactones in Argyranthemum from tenerife
Identifiers
InChI
InChI=1S/C15H18O3/c1-10-4-3-5-12(9-16)8-14-13(7-6-10)11(2)15(17)18-14/h5-6,9,13-14H,2-4,7-8H2,1H3/b10-6-,12-5+/t13-,14+/m1/s1
0 references
InChIKey
OXOKNXVZMNZEGP-XQPVGIKBSA-N
0 references
PubChem CID
101650349
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OXOKNXVZMNZEGP-XQPVGIKBSA-N
UniChem compound ID
97510235
1 reference
stated in
UniChem
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