Xylariaquinone a
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Formula: C15H12O5
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Molecular weight: 272.25
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Smiles: CC1=CC(=O)C2=C(C1=O)OC3=C(C(=C(C=C23)OC)O)C
Xylariaquinone a
Names
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Mycotoxin name: Xylariaquinone a
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First synonym: Xylariaquinone a
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Synonyms: XYLARIAQUINONE A,CHEMBL252331,7-hydroxy-8-methoxy-3,6-dimethyldibenzofuran-1,4-dione
Identifiers / External links
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CAS: 955016-67-8
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PubChem CID: 23634443
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ChEMBL: CHEMBL252331
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Chemical Entities of Biological Interest (CHEBI): CHEBI:221003
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CompTox Chemicals Dashboard (DTXSID): DTXSID901210677
Structure
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Smiles: CC1=CC(=O)C2=C(C1=O)OC3=C(C(=C(C=C23)OC)O)C
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Isomeric smiles: CC1=CC(=O)C2=C(C1=O)OC3=C(C(=C(C=C23)OC)O)C
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Inchi: InChI=1S/C15H12O5/c1-6-4-9(16)11-8-5-10(19-3)13(18)7(2)14(8)20-15(11)12(6)17/h4-5,18H,1-3H3
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Inchikey: PELMMCMFWVEXMP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H12O5
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Molecular weight: 272.25
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Monoisotopic mass: 272.06847348
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Fungi
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Fungi id Species 1188 Xylaria sp.