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(Q105001628)
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English
(3aR)-3-Methylene-5beta-[(S)-1-methyl-4-hydroxybutyl]-6-(hydroxymethyl)-2,3,3aalpha,4,7,7aalpha-hexahydrobenzofuran-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
6-(hydroxymethyl)-5-(5-hydroxypentan-2-yl)-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-2-one
1 reference
based on heuristic
inferred from SMILES
mass
266.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₄
0 references
canonical SMILES
O=C1OC2CC(=C(CC2C1=C)C(C)CCCO)CO
0 references
isomeric SMILES
C=C1C(=O)O[C@@H]2CC(CO)=C([C@@H](C)CCCO)C[C@H]12
0 references
found in taxon
Inula japonica
1 reference
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Inula britannica
1 reference
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Pentanema britannicum
1 reference
stated in
New sesquiterpenes from Inula japonica Thunb. with their inhibitory activities against LPS-induced NO production in RAW264.7 macrophages
Identifiers
InChI
InChI=1S/C15H22O4/c1-9(4-3-5-16)12-7-13-10(2)15(18)19-14(13)6-11(12)8-17/h9,13-14,16-17H,2-8H2,1H3/t9-,13+,14+/m0/s1
0 references
InChIKey
FUEGWHMVVBAMAL-CUOATXAZSA-N
0 references
PubChem CID
50915268
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
FUEGWHMVVBAMAL-CUOATXAZSA-N
UniChem compound ID
34359128
1 reference
stated in
UniChem
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