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(Q110171104)
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Pestalone D
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
525.96266256
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₀Br₂O₆
0 references
canonical SMILES
O=CC1=C(O)C=C(O)C(=C1C(=O)C2=C(O)C(Br)=C(C(Br)=C2OC)C)CC=C(C)C
0 references
found in taxon
Pestalotiopsis neglecta
1 reference
stated in
Benzophenone Compounds, from a Marine-Derived Strain of the Fungus Pestalotiopsis neglecta, Inhibit Proliferation of Pancreatic Cancer Cells by Targeting the MEK/ERK Pathway
Identifiers
InChI
InChI=1S/C21H20Br2O6/c1-9(2)5-6-11-13(25)7-14(26)12(8-24)15(11)19(27)16-20(28)17(22)10(3)18(23)21(16)29-4/h5,7-8,25-26,28H,6H2,1-4H3
0 references
InChIKey
OALSNFGGCWTTPG-UHFFFAOYSA-N
0 references
PubChem CID
156582048
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OALSNFGGCWTTPG-UHFFFAOYSA-N
ChEBI ID
210752
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H20Br2O6/c1-9(2)5-6-11-13(25)7-14(26)12(8-24)15(11)19(27)16-20(28)17(22)10(3)18(23)21(16)29-4/h5,7-8,25-26,28H,6H2,1-4H3
Natural Product Atlas ID
NPA031078
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OALSNFGGCWTTPG-UHFFFAOYSA-N
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