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Pestaloisocoumarin B
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
(4,8-dihydroxy-3,4-dimethyl-1-oxo-3H-isochromen-7-yl)methyl acetate
1 reference
based on heuristic
inferred from SMILES
mass
280.094688232
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₆O₆
0 references
canonical SMILES
O=C1OC(C)C(O)(C2=CC=C(C(O)=C12)COC(=O)C)C
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isomeric SMILES
CC(=O)OCc1ccc2c(c1O)C(=O)O[C@H](C)[C@]2(C)O
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found in taxon
Pestalotia heterocornis
1 reference
stated in
New Metabolites and Bioactive Chlorinated Benzophenone Derivatives Produced by a Marine-Derived Fungus Pestalotiopsis heterocornis
Pestalotiopsis heterocornis
1 reference
stated in
New Metabolites and Bioactive Chlorinated Benzophenone Derivatives Produced by a Marine-Derived Fungus Pestalotiopsis heterocornis
Identifiers
InChI
InChI=1S/C14H16O6/c1-7-14(3,18)10-5-4-9(6-19-8(2)15)12(16)11(10)13(17)20-7/h4-5,7,16,18H,6H2,1-3H3/t7-,14+/m1/s1
0 references
InChIKey
XCCVCEAKPGHBFU-UOWDBTKRSA-N
0 references
PubChem CID
139590453
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
212484
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C14H16O6/c1-7-14(3,18)10-5-4-9(6-19-8(2)15)12(16)11(10)13(17)20-7/h4-5,7,16,18H,6H2,1-3H3/t7-,14+/m1/s1
UniChem compound ID
170913390
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA023163
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XCCVCEAKPGHBFU-UOWDBTKRSA-N
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