(Q43858253)

English

aspyrone

an antibiotic produced by various aspergillus moulds

aspiron
(5s,6r)-5-hydroxy-6-methyl-3-[(2s,3s)-3-methyloxiran-2-yl]-5,6-dihydro-2h-pyran-2-one

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instance of

type of chemical entity

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subclass of

chemical compound

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chemical structure

Aspyrone.svg
512 × 404; 9 KB

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mass

184.074 gram per mole

1 reference

PubChem CID

167653

stereoisomer of

(2S,3R)-3-hydroxy-2-methyl-5-[(2R,3R)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(2R,3S)-3-hydroxy-2-methyl-5-[(2S,3R)-3-methyloxiran-2-yl]-2,3-dihydropyran-6-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₉H₁₂O₄

1 reference

PubChem CID

167653

canonical SMILES

O=C1OC(C)C(O)C=C1C2OC2C

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isomeric SMILES

C[C@@H]1[C@H](C=C(C(=O)O1)[C@H]2[C@@H](O2)C)O

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found in taxon

Aspergillus melleus

4 references

stated in

New polyketide metabolites from Aspergillus melleus: structural and stereochemical studies

stated in

Biosynthesis of aspyrone and asperlactone, pentaketide metabolites of Aspergillus melleus. Incorporation studies with [1-13C, 18O2]acetate and 18O2 gas

stated in

Biosynthesis of aspyrone, a metabolite of Aspergillus malleus. Incorporation studies with 14C- and 3H-labelled acetates and malonate

stated in

Aspyrone, a Nematicidal Compound Isolated from the Fungus,Aspergillus melleus

Exophiala

1 reference

stated in

Chlorohydroaspyrones A and B, antibacterial aspyrone derivatives from the marine-derived fungus Exophiala sp.

Aspergillus westerdijkiae

1 reference

stated in

A new metabolite of Aspergillus melleus

Aspergillus ochraceus

1 reference

stated in

Secondary Metabolites by Chemical Screening, 34. – Aspinolides and Aspinonene/Aspyrone Co-Metabolites, New Pentaketides Produced byAspergillus ochraceus

published in

Journal of the Chemical Society. Chemical communications

1 reference

name

Alison M. Hill, Adam Jacobs and James Staunton, J. Chem. Soc., Chem. Commun., 1995, 0, 859-860. (English)

2 references

Identifiers

InChI

InChI=1S/C9H12O4/c1-4-7(10)3-6(9(11)13-4)8-5(2)12-8/h3-5,7-8,10H,1-2H3/t4-,5+,7+,8-/m1/s1

1 reference

PubChem CID

167653

InChIKey

RCAULRNMJFUWRP-HETMPLHPSA-N

1 reference

1 reference

https://chem.nlm.nih.gov/chemidplus/sid/0017398004

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26 December 2021

mapping relation type

exact match

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stated in

ChEBI release 2021-03-01

1 reference

1 reference

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

DTXCID7092228

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Natural Product Atlas ID

NPA004570

1 reference

based on heuristic

inferred from InChIKey

Probes And Drugs ID

PD130709

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(Q43858253)

aspyrone

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