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Pyrenochaetic acid B
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
252.099773612
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₃H₁₆O₅
0 references
canonical SMILES
O=C(O)C1=CC(OC)=C(C(=O)CC(O)C)C(=C1)C
0 references
found in taxon
Setophoma terrestris
2 references
stated in
Three New Phytotoxins Produced byPyrenochaeta terrestris:Pyrenochaetic Acids A, B and C
stated in
X-Ray Crystal Structure of Pyrenocine A, a Phytotoxin fromPyrenochaeta terrestris
Identifiers
InChI
InChI=1S/C13H16O5/c1-7-4-9(13(16)17)6-11(18-3)12(7)10(15)5-8(2)14/h4,6,8,14H,5H2,1-3H3,(H,16,17)
0 references
InChIKey
ISUCSLSQOIOUHP-UHFFFAOYSA-N
0 references
CAS Registry Number
79214-48-5
0 references
PubChem CID
15856850
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ISUCSLSQOIOUHP-UHFFFAOYSA-N
UniChem compound ID
53247513
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60578912
1 reference
matched by identifier from
InChIKey
InChIKey
ISUCSLSQOIOUHP-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID90529679
0 references
UNII
E75H7N97GX
1 reference
matched by identifier from
InChIKey
InChIKey
ISUCSLSQOIOUHP-UHFFFAOYSA-N
Natural Product Atlas ID
NPA017856
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
ISUCSLSQOIOUHP-UHFFFAOYSA-N
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