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(Q104966522)
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English
(2R,3R,9R)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.0²,⁹.0³,⁷.0¹⁵,¹⁸]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
1 reference
based on heuristic
inferred from SMILES
mass
336.1473925
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(2R,3R,5Z,9R)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
alpha-cyclopiazonic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(2R,3S,5E,9S)-5-(1-hydroxyethylidene)-8,8-dimethyl-7,16-diazapentacyclo[9.6.1.02,9.03,7.015,18]octadeca-1(17),11(18),12,14-tetraene-4,6-dione
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₀N₂O₃
0 references
canonical SMILES
O=C1C(C(=O)C2N1C(C)(C)C3CC=4C=CC=C5NC=C(C54)C23)=C(O)C
0 references
isomeric SMILES
CC(O)=C1C(=O)[C@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@H]3C(C)(C)N2C1=O
0 references
found in taxon
Aspergillus flavus
1 reference
stated in
iso-α-Cyclopiazonic acid, a new natural product isolated from the marine-derived fungus Aspergillus flavus C-F-3
Identifiers
InChI
InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3/t12-,16+,17-/m1/s1
0 references
InChIKey
CNZIQHGDUXRUJS-OAUYIBNBSA-N
0 references
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