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(Q4988)
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Statements
instance of
type of a chemical entity
0 references
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)CC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
0 references
chemical formula
C₂₁H₂₀O₆
1 reference
based on heuristic
inferred from SMILES
mass
368.3807
1 reference
based on heuristic
inferred from SMILES
InChI
InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
1 reference
based on heuristic
inferred from SMILES
InChIKey
VFLDPWHFBUODDF-FCXRPNKRSA-N
1 reference
based on heuristic
inferred from SMILES
PubChem CID
969516
1 reference
based on heuristic
inferred from InChIKey
AOP-Wiki Stressor ID
612
0 references
part of
AOP-Wiki Prototypical Stressors
0 references