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Deacetylphomoxanthone b

  • Formula: C34H34O14

  • Molecular weight: 666.60

  • Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)CC(C(C6(O5)CO)OC(=O)C)C)O)OC2(C1OC(=O)C)CO)O

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Deacetylphomoxanthone b

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

Names

  • Mycotoxin name: Deacetylphomoxanthone b

  • First synonym: Deacetylphomoxanthone b

  • Synonyms: Deacetylphomoxanthone B

Identifiers / External links

Structure

  • Smiles: CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)CC(C(C6(O5)CO)OC(=O)C)C)O)OC2(C1OC(=O)C)CO)O

  • Isomeric smiles: C[C@@H]1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C5C(=C(C=C4)O)C(=C6C(=O)C[C@H]([C@H]([C@]6(O5)CO)OC(=O)C)C)O)O[C@@]2([C@@H]1OC(=O)C)CO)O

  • Inchi: InChI=1S/C34H34O14/c1-13-9-21(41)26-29(44)24-22(47-33(26,11-35)31(13)45-15(3)37)8-6-17(27(24)42)18-5-7-19(39)23-28(43)25-20(40)10-14(2)32(46-16(4)38)34(25,12-36)48-30(18)23/h5-8,13-14,31-32,35-36,39,42-44H,9-12H2,1-4H3/t13-,14-,31-,32-,33+,34+/m1/s1

  • Inchikey: GCQYBAORLPFXIY-FNCICBJWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C34H34O14

  • Molecular weight: 666.60

  • Monoisotopic mass: 666.19485575

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