Asperaldin
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Formula: C16H18O5
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Molecular weight: 290.31
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Smiles: CCCCCCOC1=CC(=CC2=C1C(=O)C(=O)C=C2O)O
Asperaldin
Names
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Mycotoxin name: Asperaldin
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First synonym: Asperaldin
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Synonyms: Asperaldin,561297-46-9,1,4-Naphthalenedione, 8-(hexyloxy)-2,6-dihydroxy-,SCHEMBL6872628,DTXSID70432879
Identifiers / External links
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CAS: 561297-46-9
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PubChem CID: 9922039
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ChemSpiderID: 8097674
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ChEMBL: CHEMBL6872628
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Chemical Entities of Biological Interest (CHEBI): CHEBI:225877
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CompTox Chemicals Dashboard (DTXSID): DTXSID70432879
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SCHEMBL: SCHEMBL6872628
Structure
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Smiles: CCCCCCOC1=CC(=CC2=C1C(=O)C(=O)C=C2O)O
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Isomeric smiles: CCCCCCOC1=CC(=CC2=C1C(=O)C(=O)C=C2O)O
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Inchi: InChI=1S/C16H18O5/c1-2-3-4-5-6-21-14-8-10(17)7-11-12(18)9-13(19)16(20)15(11)14/h7-9,17-18H,2-6H2,1H3
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Inchikey: SGUXMAYVWAAJLU-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H18O5
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Molecular weight: 290.31
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Monoisotopic mass: 290.11542367
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Fungi
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Fungi id Species 178 Aspergillus niger CFR-1046