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Monomethylmitorubrin

  • Formula: C22H20O8

  • Molecular weight: 412.40

  • Smiles: CC=CC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=C(C=C(C=C3OC)O)OC

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Monomethylmitorubrin

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

  • Mycotoxin name: Monomethylmitorubrin

  • First synonym: Monomethylmitorubrin

  • Synonyms: Monomethylmitorubrin

Identifiers / External links

Structure

  • Smiles: CC=CC1=CC2=CC(=O)C(C(=O)C2=CO1)(C)OC(=O)C3=C(C=C(C=C3OC)O)OC

  • Isomeric smiles: C/C=C/C1=CC2=CC(=O)[C@](C(=O)C2=CO1)(C)OC(=O)C3=C(C=C(C=C3OC)O)OC

  • Inchi: InChI=1S/C22H20O8/c1-5-6-14-7-12-8-18(24)22(2,20(25)15(12)11-29-14)30-21(26)19-16(27-3)9-13(23)10-17(19)28-4/h5-11,23H,1-4H3/b6-5+/t22-/m0/s1

  • Inchikey: YARFJXDESJAETQ-BDNZGDGKSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H20O8

  • Molecular weight: 412.40

  • Monoisotopic mass: 412.11581759

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