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(Q105209715)
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English
2-[(5R,8S,8aR)-8a-hydroxy-3,8-dimethyl-2-oxo-1,4,5,6,7,8-hexahydroazulen-5-yl]prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
guaiane sesquiterpenoid
0 references
mass
264.13615912
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₀O₄
0 references
canonical SMILES
O=C(O)C(=C)C1CC2=C(C(=O)CC2(O)C(C)CC1)C
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isomeric SMILES
C=C(C(=O)O)[C@@H]1CC[C@H](C)[C@]2(O)CC(=O)C(C)=C2C1
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found in taxon
Artemisia rupestris
1 reference
stated in
New guaiane sesquiterpenes from Artemisia rupestris and their inhibitory effects on nitric oxide production
Identifiers
InChI
InChI=1S/C15H20O4/c1-8-4-5-11(9(2)14(17)18)6-12-10(3)13(16)7-15(8,12)19/h8,11,19H,2,4-7H2,1,3H3,(H,17,18)/t8-,11+,15+/m0/s1
0 references
InChIKey
PITQNBJHXKODTD-IYYOCNSZSA-N
0 references
PubChem CID
91668306
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
100417671
1 reference
stated in
UniChem
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