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(e)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde

  • Formula: C19H22O4

  • Molecular weight: 314.40

  • Smiles: CC(=CCC1=CC2=C(CCC(O2)C=CC(=O)C)C(=C1O)C=O)C

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(e)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde

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

  • Mycotoxin name: (e)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde

  • First synonym: (e)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde

  • Synonyms: (e)-6-hydroxy-7-(3-methyl-2-butenyl)-2-(3-oxobut-1-enyl)chroman-5-carbaldehyde,2-(3-Oxo-1-butenyl)-6-hydroxy-7-prenyl-3,4-dihydro-2H-1-benzopyran-5-carbaldehyde

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Structure

  • Smiles: CC(=CCC1=CC2=C(CCC(O2)C=CC(=O)C)C(=C1O)C=O)C

  • Isomeric smiles: CC(=CCC1=CC2=C(CCC(O2)/C=C/C(=O)C)C(=C1O)C=O)C

  • Inchi: InChI=1S/C19H22O4/c1-12(2)4-6-14-10-18-16(17(11-20)19(14)22)9-8-15(23-18)7-5-13(3)21/h4-5,7,10-11,15,22H,6,8-9H2,1-3H3/b7-5+

  • Inchikey: RFIWPVOJGKXGDB-FNORWQNLSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H22O4

  • Molecular weight: 314.40

  • Monoisotopic mass: 314.15180918

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