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Diazaphilonic acid

  • Formula: C42H32O18

  • Molecular weight: 824.70

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C4C(C(CC5=C4C6=CC(=O)C(C(=O)C6=CO5)(C)OC(=O)C7=C(C=C(C=C7C)O)O)C(=O)O)C(=O)O)C)O)O

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Diazaphilonic acid

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

  • Mycotoxin name: Diazaphilonic acid

  • First synonym: Diazaphilonic acid

  • Synonyms: Diazaphilonic acid

Identifiers / External links

Structure

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C4C(C(CC5=C4C6=CC(=O)C(C(=O)C6=CO5)(C)OC(=O)C7=C(C=C(C=C7C)O)O)C(=O)O)C(=O)O)C)O)O

  • Isomeric smiles: CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C4C(C(CC5=C4C6=CC(=O)C(C(=O)C6=CO5)(C)OC(=O)C7=C(C=C(C=C7C)O)O)C(=O)O)C(=O)O)C)O)O

  • Inchi: InChI=1S/C42H32O18/c1-15-5-18(43)9-24(45)30(15)39(55)59-41(3)28(47)8-17-7-26(57-13-22(17)35(41)49)34-32-20-12-29(48)42(4,60-40(56)31-16(2)6-19(44)10-25(31)46)36(50)23(20)14-58-27(32)11-21(37(51)52)33(34)38(53)54/h5-10,12-14,21,33-34,43-46H,11H2,1-4H3,(H,51,52)(H,53,54)

  • Inchikey: AVQJCGDWAMKGEN-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C42H32O18

  • Molecular weight: 824.70

  • Monoisotopic mass: 824.15886417

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