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(Q105191974)
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English
(1,8a-Dimethyl-6-oxo-7-prop-1-en-2-yl-1,2,3,4,7,8-hexahydronaphthalen-2-yl) 3-methylsulfanylprop-2-enoate
group of stereoisomers with the chemical formula C₁₉H₂₆O₃S
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Statements
instance of
group of stereoisomers
0 references
subclass of
eremophilane sesquiterpenoid
1 reference
inferred from
eremophilane sesquiterpenoid
mass
334.160265692
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₆O₃S
0 references
canonical SMILES
O=C(OC1CCC2=CC(=O)C(C(=C)C)CC2(C)C1C)C=CSC
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found in taxon
Petasites formosanus
1 reference
stated in
Four new sesquiterpenes from Petasites formosanus
Petasites japonicus
1 reference
stated in
Sesquiterpenoids from petasites fragrans
Identifiers
InChI
InChI=1S/C19H26O3S/c1-12(2)15-11-19(4)13(3)17(22-18(21)8-9-23-5)7-6-14(19)10-16(15)20/h8-10,13,15,17H,1,6-7,11H2,2-5H3
0 references
InChIKey
OHANKWLYFDFHOJ-UHFFFAOYSA-N
0 references
PubChem CID
92008635
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OHANKWLYFDFHOJ-UHFFFAOYSA-N
UniChem compound ID
101709185
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0257423
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OHANKWLYFDFHOJ-UHFFFAOYSA-N
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