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(Q105237228)
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English
verruculogen TR-2
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
alkaloid
0 references
mass
387.215806408
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₂₉N₃O₄
0 references
canonical SMILES
OC1C=2C=3C=CC(OC)=CC3NC2C(N4CC5N(CCC5)CC41O)C(O)(C)C
0 references
isomeric SMILES
COc1ccc2c3c([nH]c2c1)[C@H](C(C)(C)O)N1C[C@@H]2CCCN2C[C@@]1(O)[C@H]3O
0 references
found in taxon
Aspergillus fumigatus
1 reference
stated in
Metabolites from Aspergillus fumigatus, an endophytic fungus associated with Melia azedarach, and their antifungal, antifeedant, and toxic activities
Identifiers
InChI
InChI=1S/C21H29N3O4/c1-20(2,26)18-17-16(14-7-6-13(28-3)9-15(14)22-17)19(25)21(27)11-23-8-4-5-12(23)10-24(18)21/h6-7,9,12,18-19,22,25-27H,4-5,8,10-11H2,1-3H3/t12-,18+,19-,21+/m0/s1
0 references
InChIKey
RIXDFYAJYWMUMR-SFMXACBGSA-N
0 references
PubChem CID
46885581
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
UniChem compound ID
487090
1 reference
stated in
UniChem
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