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(Q105350373)
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Annuionone E
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
8-(3-Hydroxybutyl)-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
1 reference
based on heuristic
inferred from SMILES
(5R,8R)-8-[(3S)-3-hydroxybutyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
1 reference
based on heuristic
inferred from SMILES
mass
226.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S,5R,8R)-8-[(3R)-3-hydroxybutyl]-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-3-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₃H₂₂O₃
0 references
canonical SMILES
O=C1CC2(OCC(C)(C1)C2CCC(O)C)C
0 references
isomeric SMILES
C[C@H](O)CC[C@@H]1[C@@]2(C)CO[C@]1(C)CC(=O)C2
0 references
found in taxon
Macaranga tanarius
1 reference
stated in
Constituents of the leaves of Macaranga tanarius
common sunflower
3 references
stated in
Bioactive terpenoids from sunflower leaves cv. Peredovick®
stated in
Bioactive flavonoids from Helianthus annuus cultivars
stated in
Bioactive apocarotenoids annuionones F and G: structural revision of annuionones A, B and E
Identifiers
InChI
InChI=1S/C13H22O3/c1-9(14)4-5-11-12(2)6-10(15)7-13(11,3)16-8-12/h9,11,14H,4-8H2,1-3H3/t9-,11+,12+,13+/m0/s1
0 references
InChIKey
YLXMIDJRRREVMX-WKSBVSIWSA-N
0 references
PubChem CID
101260349
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
97107276
1 reference
stated in
UniChem
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