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Chaetochromin D

  • Formula: C30H24O10

  • Molecular weight: 544.50

  • Smiles: CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C5C=C6C(=C(C(=C(O6)C)C)O)C(=C5C(=CC4=O)O)O)O)C

  • Type: Naphtho-pyrone dimer

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Chaetochromin D

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

  • Mycotoxin name: Chaetochromin D

  • First synonym: None

  • Synonyms: Chaetochromin D,CHEBI:68800,CHEMBL1097938,SCHEMBL17166018,Q27137184,(2S,3S)-5,5',6,6',8,8'-hexahydroxy-2,2',3,3'-tetramethyl-2,3-dihydro-4H,4'H-9,9'-bibenzo[g]chromene-4,4'-dione

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Structure

  • Smiles: CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C5C=C6C(=C(C(=C(O6)C)C)O)C(=C5C(=CC4=O)O)O)O)C

  • Isomeric smiles: C[C@H]1[C@@H](OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C5C=C6C(=C(C(=C(O6)C)C)O)C(=C5C(=CC4=O)O)O)O)C

  • Inchi: InChI=1S/C30H24O10/c1-9-11(3)39-19-5-13-21(15(31)7-17(33)23(13)29(37)25(19)27(9)35)22-14-6-20-26(28(36)10(2)12(4)40-20)30(38)24(14)18(34)8-16(22)32/h5-9,11,31,33-34,36-38H,1-4H3/t9-,11-/m0/s1

  • Inchikey: BDIZPQDFMHMOFZ-ONGXEEELSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C30H24O10

  • Molecular weight: 544.50

  • Monoisotopic mass: 544.13694696

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