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(Q105303123)
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Theonelladine B
chemical compound
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No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
pyridine alkaloids
0 references
3-alkylpiperidine alkaloid
0 references
mass
302.272199088
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₃₄N₂
0 references
canonical SMILES
N=1C=CC=C(C1)CCC=CCCCCCCCCCCNC
0 references
isomeric SMILES
CNCCCCCCCCCC/C=C\CCc1cccnc1
1 reference
based on heuristic
inferred from InChI
found in taxon
Theonella swinhoei
1 reference
stated in
Theonelladins A ∼ D, novel antineoplastic pyridine alkaloids from the Okinawan marine sponge
Identifiers
InChI
InChI=1S/C20H34N2/c1-21-17-13-11-9-7-5-3-2-4-6-8-10-12-15-20-16-14-18-22-19-20/h8,10,14,16,18-19,21H,2-7,9,11-13,15,17H2,1H3/b10-8-
0 references
InChIKey
WELRDUNLNFPOBY-NTMALXAHSA-N
0 references
PubChem CID
9904513
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WELRDUNLNFPOBY-NTMALXAHSA-N
UniChem compound ID
32027986
1 reference
stated in
UniChem
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