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(Q105267793)
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English
4,17,21-Trichloropentacyclo[20.2.2.110,14.115,19.02,7]octacosa-1(24),2,4,6,10(28),11,13,15,17,19(27),20,22,25-tridecaene-5,13,16,24-tetrol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
524.034892128
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₈H₁₉Cl₃O₄
0 references
canonical SMILES
ClC1=CC=2C=3C=CC(=CC3O)C(Cl)=CC=4C=C(Cl)C(O)=C(C4)C5=CC(=CC=C5O)CCC2C=C1O
0 references
found in taxon
Bazzania trilobata
2 references
stated in
Chlorinated macrocyclic bisbibenzyls from the liverwort Bazzania trilobata
stated in
Rapid detection of chlorinated bisbibenzyls in Bazzania trilobata using MALDI-TOF mass spectrometry.
Lepidozia incurvata
1 reference
stated in
Bazzanins L-R, chlorinated macrocyclic bisbibenzyls from the liverwort Lepidozia incurvata
Identifiers
InChI
InChI=1S/C28H19Cl3O4/c29-22-9-15-8-21(28(35)24(31)10-15)20-7-14(2-6-25(20)32)1-3-16-11-27(34)23(30)13-19(16)18-5-4-17(22)12-26(18)33/h2,4-13,32-35H,1,3H2
0 references
InChIKey
TYXOZQNIZROZKT-UHFFFAOYSA-N
0 references
PubChem CID
163063522
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
TYXOZQNIZROZKT-UHFFFAOYSA-N
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