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English
Batzelline A
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
282.022976272
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₁ClN₂O₂S
0 references
canonical SMILES
CN1C2=C3C(=C1SC)CCNC3=C(C(=O)C2=O)Cl
0 references
found in taxon
Batzella
2 references
stated in
Batzellines A, B, and C. Novel pyrroloquinoline alkaloids from the sponge Batzella Sp.
stated in
Isobatzellines A, B, C, and D. Cytotoxic and antifungal pyrroloquinoline alkaloids from the marine sponge Batzella sp
Identifiers
InChI
InChI=1S/C12H11ClN2O2S/c1-15-9-6-5(12(15)18-2)3-4-14-8(6)7(13)10(16)11(9)17/h14H,3-4H2,1-2H3
0 references
InChIKey
HKTWRGLIRIBFJB-UHFFFAOYSA-N
0 references
CAS Registry Number
123064-89-1
0 references
PubChem CID
180158
1 reference
matched by identifier from
InChIKey
InChIKey
HKTWRGLIRIBFJB-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL1230842
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HKTWRGLIRIBFJB-UHFFFAOYSA-N
UniChem compound ID
211835
1 reference
stated in
UniChem
NMRShiftDB structure ID
20143958
1 reference
matched by identifier from
InChIKey
InChIKey
HKTWRGLIRIBFJB-UHFFFAOYSA-N
DSSTox substance ID
DTXSID50153853
1 reference
matched by identifier from
InChIKey
InChIKey
HKTWRGLIRIBFJB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID4076344
0 references
KNApSAcK ID
C00026939
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
HKTWRGLIRIBFJB-UHFFFAOYSA-N
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