Dehydroherbarin
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Formula: C16H14O5
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Molecular weight: 286.28
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Smiles: CC1=CC2=C(CO1)C(=O)C3=C(C2=O)C=C(C=C3OC)OC
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Type: Naphthopyrone
Dehydroherbarin
Names
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Mycotoxin name: Dehydroherbarin
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First synonym: None
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Synonyms: dehydroherbarin,36379-74-5,7,9-dimethoxy-3-methyl-1H-benzo[g]isochromene-5,10-dione,7,9-Dimethoxy-3-methyl-1H-naphtho[2,3-c]pyran-5,10-dione,starbld0008583,MLS004711974,CHEMBL400327,CHEBI:225258,DTXSID901236427,AKOS040762943,SMR003474897
Identifiers / External links
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CAS: 36379-74-5
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PubChem CID: 11833010
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ChemSpiderID: 2341664
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ChEMBL: CHEMBL400327
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Chemical Entities of Biological Interest (CHEBI): CHEBI:225258
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CompTox Chemicals Dashboard (DTXSID): DTXSID901236427
Structure
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Smiles: CC1=CC2=C(CO1)C(=O)C3=C(C2=O)C=C(C=C3OC)OC
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Isomeric smiles: CC1=CC2=C(CO1)C(=O)C3=C(C2=O)C=C(C=C3OC)OC
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Inchi: InChI=1S/C16H14O5/c1-8-4-10-12(7-21-8)16(18)14-11(15(10)17)5-9(19-2)6-13(14)20-3/h4-6H,7H2,1-3H3
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Inchikey: ITUSOEBAIVROCD-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H14O5
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Molecular weight: 286.28
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Monoisotopic mass: 286.08412354
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Fungi
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Fungi id Species