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Entonaemin a

  • Formula: C21H22O8

  • Molecular weight: 402.40

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2CC3=C(COC(=C3)C=CCO)C(=O)C2(C)O)O)O

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Entonaemin a

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

Names

  • Mycotoxin name: Entonaemin a

  • First synonym: Entonaemin a

  • Synonyms: Entonaemin A,MLS005941365,SMR004614079

Identifiers / External links

  • CAS: 173693-45-3

  • PubChem CID: 12179192

Structure

  • Smiles: CC1=CC(=CC(=C1C(=O)OC2CC3=C(COC(=C3)C=CCO)C(=O)C2(C)O)O)O

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

  • Inchi: InChI=1S/C21H22O8/c1-11-6-13(23)9-16(24)18(11)20(26)29-17-8-12-7-14(4-3-5-22)28-10-15(12)19(25)21(17,2)27/h3-4,6-7,9,17,22-24,27H,5,8,10H2,1-2H3/b4-3+/t17-,21-/m1/s1

  • Inchikey: IJXINSBAHMLBBL-RIEYKTBPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H22O8

  • Molecular weight: 402.40

  • Monoisotopic mass: 402.13146766

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