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Phelligridin b

  • Formula: C15H12O7

  • Molecular weight: 304.25

  • Smiles: COC(=O)C1=C(C=C(OC1=O)C=CC2=CC(=C(C=C2)O)O)O

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Phelligridin b

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

Names

  • Mycotoxin name: Phelligridin b

  • First synonym: None

  • Synonyms: phelligridin B,methyl 6-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-4-hydroxy-2-oxopyran-3-carboxylate,methyl 6-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4-hydroxy-2-oxopyran-3-carboxylate,CHEMBL470046

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Structure

  • Smiles: COC(=O)C1=C(C=C(OC1=O)C=CC2=CC(=C(C=C2)O)O)O

  • Isomeric smiles: COC(=O)C1=C(C=C(OC1=O)/C=C/C2=CC(=C(C=C2)O)O)O

  • Inchi: InChI=1S/C15H12O7/c1-21-14(19)13-12(18)7-9(22-15(13)20)4-2-8-3-5-10(16)11(17)6-8/h2-7,16-18H,1H3/b4-2+

  • Inchikey: ONQOQEBOMCDRPX-DUXPYHPUSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H12O7

  • Molecular weight: 304.25

  • Monoisotopic mass: 304.05830272

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