(Q104966520)

English

(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

chemical compound

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instance of

type of chemical entity

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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

alpha-cyclopiazonic acid

1 reference

based on heuristic

inferred from InChI

(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

1 reference

based on heuristic

inferred from InChI

(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

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

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isomeric SMILES

C/C(O)=C1/C(=O)[C@@H]2[C@H]3c4c[nH]c5cccc(c45)C[C@@H]3C(C)(C)N2C1=O

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found in taxon

Aspergillus flavus

1 reference

stated in

Isolation and13C NMR Study of Cyclopyazonic Acid, a Toxic Alkaloid Produced by Muscardine FungiAspergillus flavusandA. oryzae

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/b14-9+/t12-,16-,17-/m0/s1

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InChIKey

CNZIQHGDUXRUJS-HVWJAXCVSA-N

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2 references

26 December 2021

matched by identifier from

InChIKey

CNZIQHGDUXRUJS-HVWJAXCVSA-N

1 reference

(Q104966520)

(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

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