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3,4-dehydroxanthomegnin

  • Formula: C30H20O12

  • Molecular weight: 572.50

  • Smiles: CC1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)C=C(OC6=O)C)O)OC

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3,4-dehydroxanthomegnin

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

Names

  • Mycotoxin name: 3,4-dehydroxanthomegnin

  • First synonym: 3,4-dehydroxanthomegnin

  • Synonyms: 3,4-Dehydroxanthomegnin,70477-24-6

Identifiers / External links

Structure

  • Smiles: CC1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)C=C(OC6=O)C)O)OC

  • Isomeric smiles: C[C@@H]1CC2=CC3=C(C(=C2C(=O)O1)O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=C(C4=O)C(=C6C(=C5)C=C(OC6=O)C)O)OC

  • Inchi: InChI=1S/C30H20O12/c1-9-5-11-7-13-17(23(33)15(11)29(37)41-9)25(35)19(27(39-3)21(13)31)20-26(36)18-14(22(32)28(20)40-4)8-12-6-10(2)42-30(38)16(12)24(18)34/h5,7-8,10,33-34H,6H2,1-4H3/t10-/m1/s1

  • Inchikey: FWPNUDGFIYCCNI-SNVBAGLBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H20O12

  • Molecular weight: 572.50

  • Monoisotopic mass: 572.09547607

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Fungi

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