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(Q105382186)
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English
(2R)-2-[(5R,8S,8aS)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl]propanoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-5-yl)propanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
250.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₃
0 references
canonical SMILES
O=C(O)C(C)C1CC2=C(C(=O)CC2C(C)CC1)C
0 references
isomeric SMILES
CC1=C2C[C@H]([C@@H](C)C(=O)O)CC[C@H](C)[C@@H]2CC1=O
0 references
found in taxon
Decachaeta scabrella
1 reference
stated in
Guaiane sesquiterpenes from Decachaeta scabrella
Identifiers
InChI
InChI=1S/C15H22O3/c1-8-4-5-11(9(2)15(17)18)6-13-10(3)14(16)7-12(8)13/h8-9,11-12H,4-7H2,1-3H3,(H,17,18)/t8-,9+,11+,12-/m0/s1
0 references
InChIKey
ZRRRSDGANYJDPM-SPFNVWMYSA-N
0 references
PubChem CID
163033474
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ZRRRSDGANYJDPM-SPFNVWMYSA-N
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