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Xyloketal D

  • Formula: C15H18O4

  • Molecular weight: 262.30

  • Smiles: CC1COC2(C1CC3=C(O2)C=CC(=C3O)C(=O)C)C

  • Type: Furobenzopyran

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Xyloketal D

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

Names

  • Mycotoxin name: Xyloketal D

  • First synonym: None

  • Synonyms: Xyloketal D,IIAGASOFCPRGKH-IBRIGMFSSA-,1-[(3R,3aR,9aR)-5-hydroxy-3,9a-dimethyl-2,3,3a,4-tetrahydrofuro[2,3-b]chromen-6-yl]ethanone,InChI=1/C15H18O4/c1-8-7-18-15(3)12(8)6-11-13(19-15)5-4-10(9(2)16)14(11)17/h4-5,8,12,17H,6-7H2,1-3H3/t8-,12+,15+/m0/s1

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Structure

  • Smiles: CC1COC2(C1CC3=C(O2)C=CC(=C3O)C(=O)C)C

  • Isomeric smiles: C[C@H]1CO[C@]2([C@@H]1CC3=C(O2)C=CC(=C3O)C(=O)C)C

  • Inchi: InChI=1S/C15H18O4/c1-8-7-18-15(3)12(8)6-11-13(19-15)5-4-10(9(2)16)14(11)17/h4-5,8,12,17H,6-7H2,1-3H3/t8-,12+,15+/m0/s1

  • Inchikey: IIAGASOFCPRGKH-IBRIGMFSSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H18O4

  • Molecular weight: 262.30

  • Monoisotopic mass: 262.12050905

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