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Herbarumin iii

  • Formula: C12H20O3

  • Molecular weight: 212.28

  • Smiles: CCCC1CC(C=CCCCC(=O)O1)O

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Herbarumin iii

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

Names

  • Mycotoxin name: Herbarumin iii

  • First synonym: Herbarumin iii

  • Synonyms: Herbarumin III,CHEMBL448932,IWZXZFNLDPFUKQ-NAJRYUOPSA-

Identifiers / External links

Structure

  • Smiles: CCCC1CC(C=CCCCC(=O)O1)O

  • Isomeric smiles: CCC[C@@H]1C[C@H](/C=C/CCCC(=O)O1)O

  • Inchi: InChI=1S/C12H20O3/c1-2-6-11-9-10(13)7-4-3-5-8-12(14)15-11/h4,7,10-11,13H,2-3,5-6,8-9H2,1H3/b7-4+/t10-,11+/m0/s1

  • Inchikey: IWZXZFNLDPFUKQ-NAJRYUOPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H20O3

  • Molecular weight: 212.28

  • Monoisotopic mass: 212.1412445

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