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Sequoiatone F

  • Formula: C22H32O5

  • Molecular weight: 376.50

  • Smiles: CCCCCCC(C)C(=O)C=C1C(=C2C=C(OCC2C1(C)O)C)C(=O)OC

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Sequoiatone F

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

Names

  • Mycotoxin name: Sequoiatone F

  • First synonym: None

  • Synonyms: Sequoiatone F,CHEBI:202742,methyl (6E,7S)-7-hydroxy-3,7-dimethyl-6-[(3S)-3-methyl-2-oxononylidene]-1,7a-dihydrocyclopenta[c]pyran-5-carboxylate

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Structure

  • Smiles: CCCCCCC(C)C(=O)C=C1C(=C2C=C(OCC2C1(C)O)C)C(=O)OC

  • Isomeric smiles: CCCCCC[C@H](C)C(=O)/C=C/1\C(=C2C=C(OCC2[C@]1(C)O)C)C(=O)OC

  • Inchi: InChI=1S/C22H32O5/c1-6-7-8-9-10-14(2)19(23)12-17-20(21(24)26-5)16-11-15(3)27-13-18(16)22(17,4)25/h11-12,14,18,25H,6-10,13H2,1-5H3/b17-12+/t14-,18?,22+/m0/s1

  • Inchikey: ZSIVCMRKIFUXRS-MUYSIRPJSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H32O5

  • Molecular weight: 376.50

  • Monoisotopic mass: 376.22497412

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