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Calcaridine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
369.168856216
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₃N₃O₄
0 references
canonical SMILES
O=C1N(C(=N)NC1(CC2=CC=C(O)C=C2)C(OC)C3=CC=C(OC)C=C3)C
0 references
isomeric SMILES
CN1C(=O)[C@@](N=C1N)(CC2=CC=C(C=C2)O)[C@H](C3=CC=C(C=C3)OC)OC
0 references
found in taxon
Leucetta
1 reference
stated in
Uniquely modified imidazole alkaloids from a calcareous Leucetta sponge
Identifiers
InChI
InChI=1S/C20H23N3O4/c1-23-18(25)20(22-19(23)21,12-13-4-8-15(24)9-5-13)17(27-3)14-6-10-16(26-2)11-7-14/h4-11,17,24H,12H2,1-3H3,(H2,21,22)/t17-,20+/m0/s1
0 references
InChIKey
FAYFCBWGLAQMRS-FXAWDEMLSA-N
0 references
CAS Registry Number
568561-14-8
0 references
PubChem CID
25138424
1 reference
matched by identifier from
InChIKey
InChIKey
FAYFCBWGLAQMRS-FXAWDEMLSA-N
UniChem compound ID
1176009
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90648834
1 reference
matched by identifier from
InChIKey
InChIKey
FAYFCBWGLAQMRS-FXAWDEMLSA-N
DSSTOX compound identifier
DTXCID40599584
0 references
NSC number
748452
0 references
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