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Australifungin

  • Formula: C23H36O6

  • Molecular weight: 408.50

  • Smiles: CCCCCCC(C)C1=C(C(=O)C2C(C1(C)C(=O)C=CO)C(CC(C2O)C)O)O

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Australifungin

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: Australifungin

  • First synonym: Australifungin

  • Synonyms: Australifungin,CHEBI:65459,(4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(2Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(2R)-octan-2-yl]-4a,5,6,7,8,8a-hexahydronaphthalen-1(4H)-one,CHEMBL512638,SCHEMBL1229477,BDBM50478534,Q27133902,(4S,4aR,5S,7R,8R,8aS)-2,5,8-trihydroxy-4-[(Z)-3-hydroxyprop-2-enoyl]-4,7-dimethyl-3-[(1R)-1-methylheptyl]-4a,5,6,7,8,8a-hexahydronaphthalen-1-one,1(4H)-Naphthalenone, 4a,5,6,7,8,8a-hexahydro-2,5,8-trihydroxy-4-[(2Z)-3-hydroxy-1-oxo-2-propenyl]-4,7-dimethyl-3-[(1R)-1-methylheptyl]-, (4S,4aR,5S,7R,8R,8aS)-,2,5beta,8beta-Trihydroxy-3-[(R)-1-methylheptyl]-4beta-[(Z)-1-oxo-3-hydroxy-2-propenyl]-4,7beta-dimethyl-4abeta,5,6,7,8,8aalpha-hexahydronaphthalen-1(4H)-one

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Structure

  • Smiles: CCCCCCC(C)C1=C(C(=O)C2C(C1(C)C(=O)C=CO)C(CC(C2O)C)O)O

  • Isomeric smiles: CCCCCC[C@@H](C)C1=C(C(=O)[C@H]2[C@H]([C@]1(C)C(=O)/C=C\O)[C@H](C[C@H]([C@H]2O)C)O)O

  • Inchi: InChI=1S/C23H36O6/c1-5-6-7-8-9-13(2)18-22(29)21(28)17-19(15(25)12-14(3)20(17)27)23(18,4)16(26)10-11-24/h10-11,13-15,17,19-20,24-25,27,29H,5-9,12H2,1-4H3/b11-10-/t13-,14-,15+,17+,19-,20-,23-/m1/s1

  • Inchikey: QURROFPXYUFYAZ-GFHGMWMXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C23H36O6

  • Molecular weight: 408.50

  • Monoisotopic mass: 408.25118886

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