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(Q105141287)
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Secothujene
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
(2-acetyl-1-isopropylcyclopropyl)acetic acid
1 reference
based on heuristic
inferred from SMILES
mass
184.109944372
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
2-[(1S,2S)-2-acetyl-1-propan-2-ylcyclopropyl]acetic acid
1 reference
based on heuristic
inferred from InChIKey
chemical formula
C₁₀H₁₆O₃
0 references
canonical SMILES
O=C(O)CC1(CC1C(=O)C)C(C)C
0 references
isomeric SMILES
CC(=O)[C@@H]1C[C@@]1(CC(=O)O)C(C)C
0 references
found in taxon
Achillea fragrantissima
1 reference
stated in
Irregular oxygenated monoterpenes from Achillea fragrantissima
Cotula cinerea
3 references
stated in
Further glaucolides and other sesquiterpene lactones from Brocchia cinerea
stated in
Further glaucolides and other sesquiterpene lactones from Brocchia cinerea
stated in
Glaucolide-like sesquiterpene lactones from Cotula cinerea
Brocchia cinerea
2 references
stated in
Further glaucolides and other sesquiterpene lactones from Brocchia cinerea
stated in
Glaucolide-like sesquiterpene lactones from Cotula cinerea
Cotula cinereum
2 references
stated in
Glaucolide-like sesquiterpene lactones from Cotula cinerea
stated in
Further glaucolides and other sesquiterpene lactones from Brocchia cinerea
Artemisia herba-alba
1 reference
stated in
Eudesmanolides and other constituents from Artemisia herba-alba
Identifiers
InChI
InChI=1S/C10H16O3/c1-6(2)10(5-9(12)13)4-8(10)7(3)11/h6,8H,4-5H2,1-3H3,(H,12,13)/t8-,10+/m0/s1
0 references
InChIKey
KHQMPLDSNBIPLK-WCBMZHEXSA-N
0 references
PubChem CID
12444318
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
100952784
1 reference
stated in
UniChem
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