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(Q105163684)
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English
(1S,4R,10S,12R)-9-butyl-10-methyl-5,7-diazatricyclo[6.3.1.04,12]dodeca-5,8-dien-6-amine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
ptilocaulin
0 references
mass
247.2048478
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Ptilocaulin
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₅H₂₅N₃
0 references
canonical SMILES
N=C1NC2=C(CCCC)C(C)CC3CCC(N1)C23
0 references
isomeric SMILES
CCCCC1=C2NC(=N)N[C@@H]3CC[C@@H](C[C@@H]1C)[C@@H]23
0 references
found in taxon
Monanchora arbuscula
1 reference
stated in
Guanidine Alkaloids from Monanchora arbuscula: Chemistry and Antitumor Potential
Identifiers
InChI
InChI=1S/C15H25N3/c1-3-4-5-11-9(2)8-10-6-7-12-13(10)14(11)18-15(16)17-12/h9-10,12-13H,3-8H2,1-2H3,(H3,16,17,18)/t9-,10-,12+,13+/m0/s1
0 references
InChIKey
MGZKFJKGMKJURC-YRRQLQLVSA-N
0 references
PubChem CID
10957873
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
66285416
1 reference
stated in
UniChem
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