Logo Anses
Logo Interreg

Mycorrhizin b1

  • Formula: C14H15BrO4

  • Molecular weight: 327.17

  • Smiles: CC=C(C1=CC(=O)C23CC2C(OC3(C1=O)O)(C)C)Br

Download

Mycorrhizin b1

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

Names

  • Mycotoxin name: Mycorrhizin b1

  • First synonym: Mycorrhizin b1

  • Synonyms: Mycorrhizin B1

Identifiers / External links

Structure

  • Smiles: CC=C(C1=CC(=O)C23CC2C(OC3(C1=O)O)(C)C)Br

  • Isomeric smiles: C/C=C(/C1=CC(=O)[C@]23C[C@H]2C(O[C@@]3(C1=O)O)(C)C)\Br

  • Inchi: InChI=1S/C14H15BrO4/c1-4-8(15)7-5-10(16)13-6-9(13)12(2,3)19-14(13,18)11(7)17/h4-5,9,18H,6H2,1-3H3/b8-4-/t9-,13-,14+/m0/s1

  • Inchikey: RKJJPBKKHSHSSQ-NMACGQAHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H15BrO4

  • Molecular weight: 327.17

  • Monoisotopic mass: 326.01537

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