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(Q104397547)
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Shiromool acetate
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
germacrane sesquiterpenoid
0 references
mass
280.203844756
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₂₈O₃
0 references
canonical SMILES
O=C(OC1C2OC2(C)CCC=C(C)CCC1C(C)C)C
0 references
isomeric SMILES
CC(=O)O[C@@H]1[C@H](C(C)C)CC/C(C)=C\CC[C@]2(C)O[C@@H]12
0 references
found in taxon
Sideritis varoi
1 reference
stated in
Terpenoids from Sideritis varoi
Identifiers
InChI
InChI=1S/C17H28O3/c1-11(2)14-9-8-12(3)7-6-10-17(5)16(20-17)15(14)19-13(4)18/h7,11,14-16H,6,8-10H2,1-5H3/b12-7-/t14-,15+,16-,17-/m0/s1
0 references
InChIKey
XXKNUIOBVIPJND-PFKVEOESSA-N
0 references
PubChem CID
101944980
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XXKNUIOBVIPJND-PFKVEOESSA-N
UniChem compound ID
97234122
1 reference
stated in
UniChem
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