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(Q105226870)
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English
3-[(1Z,3E)-2-isocyano-5-methylhexa-1,3,5-trien-1-yl]-1-methylindole
chemical compound
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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
alkaloid
0 references
mass
248.131348512
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₇H₁₆N₂
0 references
canonical SMILES
[C-]#[N+]C(C=CC(=C)C)=CC1=CN(C=2C=CC=CC12)C
0 references
isomeric SMILES
[C-]#[N+]C(=C\c1cn(C)c2ccccc12)/C=C/C(=C)C
1 reference
based on heuristic
inferred from InChI
found in taxon
Nocardia brasiliensis
1 reference
stated in
Brasilidine A, a New Cytotoxic Isonitrile-Containing Indole Alkaloid from the Actinomycete Nocardia brasiliensis
Identifiers
InChI
InChI=1S/C17H16N2/c1-13(2)9-10-15(18-3)11-14-12-19(4)17-8-6-5-7-16(14)17/h5-12H,1H2,2,4H3/b10-9+,15-11-
0 references
InChIKey
QSCPJCBDMLZEIG-RKVFCIRRSA-N
0 references
PubChem CID
15410414
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00026500
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QSCPJCBDMLZEIG-RKVFCIRRSA-N
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