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Phomol

  • Formula: C22H36O7

  • Molecular weight: 412.50

  • Smiles: CCCCCC1C(C(C=CC(C(CC(=O)O1)O)O)O)OC(=O)C(=CC(C)CC)C

  • Type: Macrolactone

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Phomol

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

  • Mycotoxin name: Phomol

  • First synonym: None

  • Synonyms: Phomol,IRLIXJLJAAXRFK-GCHFJXRNSA-,CHEBI:199343,(3'R,4S)-3',8-dihydroxyspiro[2,3-dihydronaphthalene-4,5'-oxolane]-1,2'-dione,[(5E)-4,7,8-trihydroxy-10-oxo-2-pentyl-2,3,4,7,8,9-hexahydrooxecin-3-yl] (E)-2,4-dimethylhex-2-enoate,InChI=1/C22H36O7/c1-5-7-8-9-19-21(29-22(27)15(4)12-14(3)6-2)17(24)11-10-16(23)18(25)13-20(26)28-19/h10-12,14,16-19,21,23-25H,5-9,13H2,1-4H3/b11-10+,15-12+

Identifiers / External links

Structure

  • Smiles: CCCCCC1C(C(C=CC(C(CC(=O)O1)O)O)O)OC(=O)C(=CC(C)CC)C

  • Isomeric smiles: CCCCCC1C(C(/C=C/C(C(CC(=O)O1)O)O)O)OC(=O)/C(=C/C(C)CC)/C

  • Inchi: InChI=1S/C22H36O7/c1-5-7-8-9-19-21(29-22(27)15(4)12-14(3)6-2)17(24)11-10-16(23)18(25)13-20(26)28-19/h10-12,14,16-19,21,23-25H,5-9,13H2,1-4H3/b11-10+,15-12+

  • Inchikey: IRLIXJLJAAXRFK-GCHFJXRNSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H36O7

  • Molecular weight: 412.50

  • Monoisotopic mass: 412.24610348

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