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Yanuthone D

  • Formula: C28H38O8

  • Molecular weight: 502.60

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

  • Type: Epoxycyclohexenone/ Farnesylcyclohexenones (terpen

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Yanuthone D

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

Names

  • Mycotoxin name: Yanuthone D

  • First synonym: None

  • Synonyms: yanuthone D,5-({(1S,6R)-2,5-dioxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl}methoxy)-3-hydroxy-3-methyl-5-oxopentanoic acid,CHEBI:133841,5-[[(1S,6R)-2,5-dioxo-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-7-oxabicyclo[4.1.0]hept-3-en-3-yl]methoxy]-3-hydroxy-3-methyl-5-oxopentanoic acid

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Structure

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

  • Isomeric smiles: CC(=CCC/C(=C/CC/C(=C/C[C@]12[C@H](O1)C(=O)C(=CC2=O)COC(=O)CC(C)(CC(=O)O)O)/C)/C)C

  • Inchi: InChI=1S/C28H38O8/c1-18(2)8-6-9-19(3)10-7-11-20(4)12-13-28-22(29)14-21(25(33)26(28)36-28)17-35-24(32)16-27(5,34)15-23(30)31/h8,10,12,14,26,34H,6-7,9,11,13,15-17H2,1-5H3,(H,30,31)/b19-10+,20-12+/t26-,27?,28+/m1/s1

  • Inchikey: NIBXHVDVUJEQPO-MHVGILDJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H38O8

  • Molecular weight: 502.60

  • Monoisotopic mass: 502.25666817

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