Logo Anses
Logo Interreg

Mitorubrinic acid B

  • Formula: C21H18O9

  • Molecular weight: 414.40

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2C3=COC(=CC3=CC(=O)C2(C)O)C=CC(=O)O)O)O

  • Type: Azaphilone (Benzopyran)

Download

Mitorubrinic acid B

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

Names

  • Mycotoxin name: Mitorubrinic acid B

  • First synonym: None

  • Synonyms: (+)-mitorubrinic acid B,CHEBI:219891,(E)-3-[(7R,8R)-8-(2,4-dihydroxy-6-methylbenzoyl)oxy-7-hydroxy-7-methyl-6-oxo-8H-isochromen-3-yl]prop-2-enoic acid

Identifiers / External links

Structure

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2C3=COC(=CC3=CC(=O)C2(C)O)C=CC(=O)O)O)O

  • Isomeric smiles: CC1=CC(=CC(=C1C(=O)O[C@@H]2C3=COC(=CC3=CC(=O)[C@]2(C)O)/C=C/C(=O)O)O)O

  • Inchi: InChI=1S/C21H18O9/c1-10-5-12(22)8-15(23)18(10)20(27)30-19-14-9-29-13(3-4-17(25)26)6-11(14)7-16(24)21(19,2)28/h3-9,19,22-23,28H,1-2H3,(H,25,26)/b4-3+/t19-,21+/m1/s1

  • Inchikey: KEFMWOFGFUZREC-MPTWLCKMSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H18O9

  • Molecular weight: 414.40

  • Monoisotopic mass: 414.09508215

Select an endpoint:

Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Category Sub category Endpoint Tool QSAR ID Value Unit Comments Reference

Select an endpoint:

Endpoint Tool Value Unit Comments Reference

Fungi