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Yanuthone A

  • Formula: C24H34O5

  • Molecular weight: 402.50

  • Smiles: CC(=CCCC(=CCCC(=CCC12C(O1)C(C(=CC2=O)COC(=O)C)O)C)C)C

  • Type: Epoxycyclohexenone/ Farnesylcyclohexenones (terpen

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Yanuthone A

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

Names

  • Mycotoxin name: Yanuthone A

  • First synonym: None

  • Synonyms: Yanuthone A,[(1R,2R)-2-hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetate,((1R,2R)-2-Hydroxy-5-oxo-6-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)-7-oxabicyclo(4.1.0)hept-3-en-3-yl)methyl acetic acid,((1R,2R)-2-hydroxy-5-oxo-6-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl)-7-oxabicyclo(4.1.0)hept-3-en-3-yl)methyl acetate,[(1R,2R)-2-Hydroxy-5-oxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methyl acetic acid,CHEBI:213464

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Structure

  • Smiles: CC(=CCCC(=CCCC(=CCC12C(O1)C(C(=CC2=O)COC(=O)C)O)C)C)C

  • Isomeric smiles: CC(=CCC/C(=C/CC/C(=C/CC12[C@H](O1)[C@@H](C(=CC2=O)COC(=O)C)O)/C)/C)C

  • Inchi: InChI=1S/C24H34O5/c1-16(2)8-6-9-17(3)10-7-11-18(4)12-13-24-21(26)14-20(15-28-19(5)25)22(27)23(24)29-24/h8,10,12,14,22-23,27H,6-7,9,11,13,15H2,1-5H3/b17-10+,18-12+/t22-,23-,24?/m1/s1

  • Inchikey: RENHHCMPSDDNOZ-XDLWMWEFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C24H34O5

  • Molecular weight: 402.50

  • Monoisotopic mass: 402.24062418

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