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(Q105271475)
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English
9-chloro-3-(methylsulfanyl)-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-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
268.007326208
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₉ClN₂O₂S
0 references
canonical SMILES
O=C1C(=O)C=2NC(SC)=C3C2C(NCC3)=C1Cl
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/C11H9ClN2O2S/c1-17-11-4-2-3-13-7-5(4)8(14-11)10(16)9(15)6(7)12/h13-14H,2-3H2,1H3
0 references
InChIKey
UFECCEGTVFXKLD-UHFFFAOYSA-N
0 references
PubChem CID
10265049
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
SureChEMBL ID
SCHEMBL1229945
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UFECCEGTVFXKLD-UHFFFAOYSA-N
KNApSAcK ID
C00026940
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UFECCEGTVFXKLD-UHFFFAOYSA-N
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