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Phomolide a

  • Formula: C12H16O3

  • Molecular weight: 208.25

  • Smiles: CCCC1CC2C(O2)C=CC=CC(=O)O1

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Phomolide a

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

Names

  • Mycotoxin name: Phomolide a

  • First synonym: Phomolide a

  • Synonyms: Phomolide A

Identifiers / External links

Structure

  • Smiles: CCCC1CC2C(O2)C=CC=CC(=O)O1

  • Isomeric smiles: CCC[C@H]1C[C@@H]2[C@@H](O2)/C=C\C=C/C(=O)O1

  • Inchi: InChI=1S/C12H16O3/c1-2-5-9-8-11-10(15-11)6-3-4-7-12(13)14-9/h3-4,6-7,9-11H,2,5,8H2,1H3/b6-3-,7-4-/t9-,10-,11+/m0/s1

  • Inchikey: PBTXLWGLUDWVOG-APRLWHLBSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C12H16O3

  • Molecular weight: 208.25

  • Monoisotopic mass: 208.109944368

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