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(Q77510432)
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English
Isoflavipucine
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
237.10010796
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₅NO₄
0 references
canonical SMILES
O=C(CC(C)C)C1OC2=CC(=NC(O)=C2O1)C
0 references
found in taxon
Aspergillus flavipes
1 reference
stated in
The structure of isoflavipucine
Identifiers
InChI
InChI=1S/C12H15NO4/c1-6(2)4-8(14)12-16-9-5-7(3)13-11(15)10(9)17-12/h5-6,12H,4H2,1-3H3,(H,13,15)
0 references
InChIKey
VALUPXXLHSBISM-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
25263055
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
25263055
language of work or name
English
CAS Registry Number
61248-16-6
0 references
PubChem CID
25263055
2 references
stated in
PubChem
PubChem CID
25263055
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VALUPXXLHSBISM-UHFFFAOYSA-N
ChEBI ID
156435
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H15NO4/c1-6(2)4-8(14)12-16-9-5-7(3)13-11(15)10(9)17-12/h5-6,12H,4H2,1-3H3,(H,13,15)
UniChem compound ID
42855313
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90649523
1 reference
matched by identifier from
InChIKey
InChIKey
VALUPXXLHSBISM-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70600273
0 references
Natural Product Atlas ID
NPA012677
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VALUPXXLHSBISM-UHFFFAOYSA-N
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