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(Q4836)
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Statements
instance of
type of a chemical entity
0 references
SMILES
C/C/1=C/CC[C@@]2([C@@H](O2)[C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C
0 references
chemical formula
C₁₅H₂₀O₃
1 reference
based on heuristic
inferred from SMILES
mass
248.3181
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5-/t11-,12-,13-,15+/m0/s1
1 reference
based on heuristic
inferred from SMILES
InChIKey
KTEXNACQROZXEV-QLIGOWBFSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
5420805
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
429
0 references
part of
AOP-Wiki Prototypical Stressors
0 references