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(Q77518275)
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English
3-chloro-4-(2-nitro3-chlorophenyl)-pyrrole
bioactive natural product
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrole alkaloid
0 references
mass
271.975547412
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₆Cl₂N₂O₃
0 references
canonical SMILES
C1=CC(=C(C(=C1O)C2=CNC=C2Cl)[N+](=O)[O-])Cl
0 references
found in taxon
Pseudomonas
1 reference
stated in
Oxypyrrolnitrin: a metabolite of Pseudomonas
Identifiers
InChI
InChI=1S/C10H6Cl2N2O3/c11-6-1-2-8(15)9(10(6)14(16)17)5-3-13-4-7(5)12/h1-4,13,15H
0 references
InChIKey
HCTYUKFXOOTSDB-UHFFFAOYSA-N
2 references
stated in
PubChem
PubChem CID
53439920
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
53439920
language of work or name
English
CAS Registry Number
15345-51-4
0 references
PubChem CID
53439920
2 references
stated in
PubChem
PubChem CID
53439920
language of work or name
English
matched by identifier from
InChIKey
InChIKey
HCTYUKFXOOTSDB-UHFFFAOYSA-N
ChEBI ID
209149
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C10H6Cl2N2O3/c11-6-1-2-8(15)9(10(6)14(16)17)5-3-13-4-7(5)12/h1-4,13,15H
UniChem compound ID
58579673
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00702239
1 reference
matched by identifier from
InChIKey
InChIKey
HCTYUKFXOOTSDB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00652987
0 references
Natural Product Atlas ID
NPA013917
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HCTYUKFXOOTSDB-UHFFFAOYSA-N
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