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Pyrinodemin B
chemical compound
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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
561.465813508
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₇H₅₉N₃O
0 references
canonical SMILES
N=1C=CC=C(C1)CCCCCCCCCCCCCN2OC(CCCCCCCCC=3C=NC=CC3)C4CCCC24
0 references
isomeric SMILES
c1cncc(CCCCCCCCCCCCCN2O[C@@H](CCCCCCCCc3cccnc3)[C@H]3CCC[C@H]32)c1
0 references
found in taxon
Amphimedon
1 reference
stated in
Pyrinodemins B-D, potent cytotoxic bis-pyridine alkaloids from marine sponge amphimedon sp
Identifiers
InChI
InChI=1S/C37H59N3O/c1(2-4-6-10-14-21-33-23-19-28-38-31-33)3-5-9-13-17-30-40-36-26-18-25-35(36)37(41-40)27-16-12-8-7-11-15-22-34-24-20-29-39-32-34/h19-20,23-24,28-29,31-32,35-37H,1-18,21-22,25-27,30H2/t35-,36+,37-/m0/s1
0 references
InChIKey
AIAKLCWNBGONOV-QOEXFKEZSA-N
0 references
PubChem CID
10437827
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
AIAKLCWNBGONOV-QOEXFKEZSA-N
UniChem compound ID
32169287
1 reference
stated in
UniChem
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