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Aspergin

  • Formula: C19H26O3

  • Molecular weight: 302.40

  • Smiles: CCCCCC=CC1=C(C=C(C(=C1C=O)O)CC=C(C)C)O

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Aspergin

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

  • Mycotoxin name: Aspergin

  • First synonym: Tetrahydroauroglaucin

  • Synonyms: TETRAHYDROAUROGLAUCIN,Aspergin,CHEMBL1811938,CHEBI:68189,UNII-4869C436N3,40434-07-9,4869C436N3,2-[(E)-hept-1-enyl]-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde,Tetraydroauroglaucin,BDBM50350092,Q27136683,Gentisaldehyde, 6-(1-heptenyl)-3-(3-methyl-2-butenyl)-,2,5-dihydroxy-3-(3-methyl-2-butenyl)-6-[(1e)-1-heptenyl]-benzaldehyde,2-[(E)-1-Heptenyl]-3,6-dihydroxy-5-(3-methyl-2-butenyl)benzaldehyde,Benzaldehyde, 2-(1-hepten-1-yl)-3,6-dihydroxy-5-(3-methyl-2-buten-1-yl)-,33514-92-0

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Structure

  • Smiles: CCCCCC=CC1=C(C=C(C(=C1C=O)O)CC=C(C)C)O

  • Isomeric smiles: CCCCC/C=C/C1=C(C=C(C(=C1C=O)O)CC=C(C)C)O

  • Inchi: InChI=1S/C19H26O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h8-10,12-13,21-22H,4-7,11H2,1-3H3/b9-8+

  • Inchikey: FYGPFTSGVSZKAJ-CMDGGOBGSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H26O3

  • Molecular weight: 302.40

  • Monoisotopic mass: 302.18819469

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