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14-dihydroxycornestin

  • Formula: C16H20O6

  • Molecular weight: 308.33

  • Smiles: CCCC1C(C(=O)CC(C(=CC)CC2=C1C(=O)OC2=O)O)O

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14-dihydroxycornestin

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

Names

  • Mycotoxin name: 14-dihydroxycornestin

  • First synonym: 14-dihydroxycornestin

  • Synonyms: 14-Dihydroxycornestin,Cornexistin,C08483,123068-35-9,AC1NQY4Z,CHEBI:756,(4R,5S,8S,9Z)-9-ethylidene-5,8-dihydroxy-4-propyl-5,7,8,10-tetrahydro-4H-cyclonona[c]furan-1,3,6-trione,Q27105353,(4R,5S,8S,9Z)-9-ethylidene-5,8-dihydroxy-4-propyl-4,5,7,8,9,10-hexahydro-1H-cyclonona[c]furan-1,3,6-trione

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Structure

  • Smiles: CCCC1C(C(=O)CC(C(=CC)CC2=C1C(=O)OC2=O)O)O

  • Isomeric smiles: CCC[C@H]1[C@@H](C(=O)C[C@@H](/C(=C\C)/CC2=C1C(=O)OC2=O)O)O

  • Inchi: InChI=1S/C16H20O6/c1-3-5-9-13-10(15(20)22-16(13)21)6-8(4-2)11(17)7-12(18)14(9)19/h4,9,11,14,17,19H,3,5-7H2,1-2H3/b8-4-/t9-,11+,14+/m1/s1

  • Inchikey: ILMHTGUGRLGMCR-LRIVTRFWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H20O6

  • Molecular weight: 308.33

  • Monoisotopic mass: 308.12598835

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