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(Q77279294)
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Pestalachloride B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
408.053129036
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₁₈Cl₂O₅
0 references
canonical SMILES
O=C1C2=C(O)C(Cl)=C(C(Cl)=C2OCC3=C(O)C=C(O)C(=C13)CC=C(C)C)C
0 references
found in taxon
Pestalotiopsis adusta
1 reference
stated in
Pestalachlorides A-C, antifungal metabolites from the plant endophytic fungus Pestalotiopsis adusta
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/C20H18Cl2O5/c1-8(2)4-5-10-12(23)6-13(24)11-7-27-20-15(18(25)14(10)11)19(26)16(21)9(3)17(20)22/h4,6,23-24,26H,5,7H2,1-3H3
0 references
InChIKey
XCFFTGALQWABRD-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
44562122
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
44562122
language of work or name
English
PubChem CID
44562122
2 references
stated in
PubChem
PubChem CID
44562122
language of work or name
English
matched by identifier from
InChIKey
InChIKey
XCFFTGALQWABRD-UHFFFAOYSA-N
ChEBI ID
200597
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H18Cl2O5/c1-8(2)4-5-10-12(23)6-13(24)11-7-27-20-15(18(25)14(10)11)19(26)16(21)9(3)17(20)22/h4,6,23-24,26H,5,7H2,1-3H3
UniChem compound ID
214461
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA003538
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCFFTGALQWABRD-UHFFFAOYSA-N
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