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Penicillanthranin a

  • Formula: C28H24O10

  • Molecular weight: 520.50

  • Smiles: CC1C(OC(C2=C(C(=C(C(=C12)C)O)C(=O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)C)O)C

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Penicillanthranin a

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

Names

  • Mycotoxin name: Penicillanthranin a

  • First synonym: Penicillanthranin a

  • Synonyms: Penicillanthranin A

Identifiers / External links

Structure

  • Smiles: CC1C(OC(C2=C(C(=C(C(=C12)C)O)C(=O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)C)O)C

  • Isomeric smiles: C[C@@H]1[C@H](O[C@@H](C2=C(C(=C(C(=C12)C)O)C(=O)O)O)C3=C(C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)C)O)C

  • Inchi: InChI=1S/C28H24O10/c1-8-5-12-17(14(29)6-8)24(33)18-13(23(12)32)7-15(30)19(25(18)34)27-20-16(9(2)11(4)38-27)10(3)22(31)21(26(20)35)28(36)37/h5-7,9,11,27,29-31,34-35H,1-4H3,(H,36,37)/t9-,11-,27-/m1/s1

  • Inchikey: RZXUUFGBJCAYSU-MLYWIKPFSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C28H24O10

  • Molecular weight: 520.50

  • Monoisotopic mass: 520.13694696

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