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(Q63395399)
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Pyrophen
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
N-(1-(4-Methoxy-2-oxo-2H-pyran-6-yl)-2-phenylethyl)acetamide
1 reference
based on heuristic
inferred from SMILES
mass
287.115758024
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₁₇NO₄
0 references
canonical SMILES
COc1cc(C(Cc2ccccc2)NC(C)=O)oc(=O)c1
0 references
isomeric SMILES
CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC
0 references
found in taxon
Aspergillus niger
5 references
stated in
Biosynthetically diverse compounds from a saltwater culture of sponge-derived Aspergillus niger
stated in
Biosynthetically diverse compounds from a saltwater culture of sponge-derived Aspergillus niger
stated in
Structure and absolute configuration of pyrophen, a novel pryrone derivative of L-phenylalanine from Aspergillus niger.
stated in
Structure and absolute configuration of pyrophen, a novel pryrone derivative of L-phenylalanine from Aspergillus niger.
stated in
Biosynthetically diverse compounds from a saltwater culture of sponge-derived Aspergillus niger
Identifiers
InChI
InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)/t14-/m0/s1
0 references
InChIKey
VFMQMACUYWGDOJ-AWEZNQCLSA-N
0 references
CAS Registry Number
131190-56-2
0 references
PubChem CID
131349
1 reference
matched by identifier from
InChIKey
InChIKey
VFMQMACUYWGDOJ-AWEZNQCLSA-N
ChEBI ID
203474
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)/t14-/m0/s1
UniChem compound ID
829184
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-AAFC-AC000852
0 references
MSBNK-AAFC-AC000853
0 references
MSBNK-AAFC-AC000854
0 references
MSBNK-AAFC-AC000855
0 references
MSBNK-AAFC-AC000856
0 references
DSSTox substance ID
DTXSID50156940
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
VFMQMACUYWGDOJ-AWEZNQCLSA-N
DSSTOX compound identifier
DTXCID4079431
0 references
Natural Product Atlas ID
NPA006435
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VFMQMACUYWGDOJ-AWEZNQCLSA-N
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