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English
Isobatzelline E
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
233.035589556
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₈ClN₃O
0 references
canonical SMILES
CN1C=C2C=CN=C3C2=C1C(=O)C(=C3Cl)N
0 references
found in taxon
Zyzzya fuliginosa
3 references
stated in
Batzelline D and isobatzelline E from the indopacific sponge Zyzzya fuliginosa
stated in
Batzelline D and isobatzelline E from the indopacific sponge Zyzzya fuliginosa
stated in
Antitumor activity and distribution of pyrroloiminoquinones in the sponge genus Zyzzya
Identifiers
InChI
InChI=1S/C11H8ClN3O/c1-15-4-5-2-3-14-9-6(5)10(15)11(16)8(13)7(9)12/h2-4H,13H2,1H3
0 references
InChIKey
PQYDUSMCHWLZPN-UHFFFAOYSA-N
0 references
CAS Registry Number
437980-21-7
0 references
PubChem CID
457847
1 reference
matched by identifier from
InChIKey
InChIKey
PQYDUSMCHWLZPN-UHFFFAOYSA-N
UniChem compound ID
34439466
1 reference
stated in
UniChem
NMRShiftDB structure ID
2580
1 reference
matched by identifier from
InChIKey
InChIKey
PQYDUSMCHWLZPN-UHFFFAOYSA-N
DSSTox substance ID
DTXSID90963115
1 reference
matched by identifier from
InChIKey
InChIKey
PQYDUSMCHWLZPN-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID001390884
0 references
KNApSAcK ID
C00026842
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PQYDUSMCHWLZPN-UHFFFAOYSA-N
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