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(Q77573083)
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English
Birnbaumin B
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
putrescine
0 references
mass
376.14951774
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₀N₆O₅
0 references
canonical SMILES
O=C(NCCCCN=C(N)C(=NO)N)C(=O)C1=CN(O)C=2C(O)=CC=CC12
0 references
found in taxon
Leucocoprinus birnbaumii
2 references
stated in
Birnbaumin A and B: two unusual 1-hydroxyindole pigments from the "flower pot parasol" Leucocoprinus birnbaumii
stated in
Birnbaumin A und B, zwei ungewöhnliche 1-Hydroxyindol-Farbstoffe aus dem “Blumentopfpilz”Leucocoprinus birnbaumii
Identifiers
InChI
InChI=1S/C16H20N6O5/c17-14(15(18)21-26)19-6-1-2-7-20-16(25)13(24)10-8-22(27)12-9(10)4-3-5-11(12)23/h3-5,8,23,26-27H,1-2,6-7H2,(H2,17,19)(H2,18,21)(H,20,25)
0 references
InChIKey
VBIBHYIVQAMFPY-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
135506167
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
135506167
language of work or name
English
PubChem CID
135506167
2 references
stated in
PubChem
PubChem CID
135506167
language of work or name
English
matched by identifier from
InChIKey
InChIKey
VBIBHYIVQAMFPY-UHFFFAOYSA-N
139587741
1 reference
matched by identifier from
InChIKey
InChIKey
VBIBHYIVQAMFPY-UHFFFAOYSA-N
136734816
1 reference
matched by identifier from
InChIKey
InChIKey
VBIBHYIVQAMFPY-UHFFFAOYSA-N
ChEBI ID
223797
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C16H20N6O5/c17-14(15(18)21-26)19-6-1-2-7-20-16(25)13(24)10-8-22(27)12-9(10)4-3-5-11(12)23/h3-5,8,23,26-27H,1-2,6-7H2,(H2,17,19)(H2,18,21)(H,20,25)
NMRShiftDB structure ID
20071923
1 reference
matched by identifier from
InChIKey
InChIKey
VBIBHYIVQAMFPY-UHFFFAOYSA-N
DSSTox substance ID
DTXSID001046011
1 reference
matched by identifier from
InChIKey
InChIKey
VBIBHYIVQAMFPY-UHFFFAOYSA-N
Natural Product Atlas ID
NPA016687
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VBIBHYIVQAMFPY-UHFFFAOYSA-N
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