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(Q105118042)
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English
(5S)-5-[(1E,4S)-4-hydroxy-4-methylhexa-1,5-dienyl]-5-methyloxolan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(4-Hydroxy-4-methylhexa-1,5-dienyl)-5-methyloxolan-2-one
1 reference
based on heuristic
inferred from SMILES
5-[(1E)-4-hydroxy-4-methylhexa-1,5-dien-1-yl]-5-methyloxolan-2-one
1 reference
based on heuristic
inferred from SMILES
mass
210.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₈O₃
0 references
canonical SMILES
O=C1OC(C=CCC(O)(C=C)C)(C)CC1
0 references
isomeric SMILES
C=C[C@@](C)(O)C/C=C/[C@]1(C)CCC(=O)O1
0 references
found in taxon
Calea crocinervosa
1 reference
stated in
A tris-norsesquiterpene lactone and other sesquiterpenes from Calea crocinervosa
Gonospermum gomerae
1 reference
stated in
Sesquiterpene lactones from Gonospermum gomerae and G. fruticosum and their cytotoxic activities
Identifiers
InChI
InChI=1S/C12H18O3/c1-4-11(2,14)7-5-8-12(3)9-6-10(13)15-12/h4-5,8,14H,1,6-7,9H2,2-3H3/b8-5+/t11-,12-/m1/s1
0 references
InChIKey
IQMZMJNVLZXNPZ-ZOUVEMKTSA-N
0 references
PubChem CID
162895885
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IQMZMJNVLZXNPZ-ZOUVEMKTSA-N
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