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(Q82944926)
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English
6-Chloro-1,3,4,5-tetrahydropyrrolo[4,3,2-de]quinoline-7,8-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
pyrrolo[4,3,2-de]quinoline alkaloid
0 references
mass
222.019605144
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₇ClN₂O₂
0 references
canonical SMILES
C1CNC2=C(C(=O)C(=O)C3=C2C1=CN3)Cl
0 references
found in taxon
Zyzzya fuliginosa
1 reference
stated in
Batzelline D and isobatzelline E from the indopacific sponge Zyzzya fuliginosa
Identifiers
InChI
InChI=1S/C10H7ClN2O2/c11-6-7-5-4(1-2-12-7)3-13-8(5)10(15)9(6)14/h3,12-13H,1-2H2
0 references
InChIKey
OACZASFROFWUOT-UHFFFAOYSA-N
0 references
CAS Registry Number
437980-22-8
0 references
PubChem CID
456175
0 references
UniChem compound ID
168702987
1 reference
stated in
UniChem
NMRShiftDB structure ID
20180535
1 reference
matched by identifier from
InChIKey
InChIKey
OACZASFROFWUOT-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50963116
1 reference
matched by identifier from
InChIKey
InChIKey
OACZASFROFWUOT-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID701390885
0 references
NSC number
741157
0 references
KNApSAcK ID
C00026843
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OACZASFROFWUOT-UHFFFAOYSA-N
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