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(Q105259263)
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English
Bazzanin A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
456.112836832
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₂₁ClO₄
0 references
canonical SMILES
ClC1=CC=2C=CC3=CC=C(C(O)=C3)C4=CC=C(O)C=C4CCC5=CC=C(O)C(=C5)C(C2)=C1O
0 references
isomeric SMILES
Oc1ccc2c(c1)CCc1ccc(O)c(c1)-c1cc(cc(Cl)c1O)/C=C\c1ccc-2c(O)c1
1 reference
based on heuristic
inferred from InChI
found in taxon
Bazzania trilobata
2 references
stated in
Chlorinated macrocyclic bisbibenzyls from the liverwort Bazzania trilobata
stated in
Chlorinated macrocyclic bisbibenzyls from the liverwort Bazzania trilobata
Identifiers
InChI
InChI=1S/C28H21ClO4/c29-25-13-18-2-1-17-4-8-22(27(32)14-17)21-9-7-20(30)15-19(21)6-3-16-5-10-26(31)23(11-16)24(12-18)28(25)33/h1-2,4-5,7-15,30-33H,3,6H2/b2-1-
0 references
InChIKey
SRLGMZCGYURDNJ-UPHRSURJSA-N
0 references
PubChem CID
101938848
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SRLGMZCGYURDNJ-UPHRSURJSA-N
UniChem compound ID
97187597
1 reference
stated in
UniChem
KNApSAcK ID
C00036043
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SRLGMZCGYURDNJ-UPHRSURJSA-N
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