Xanalteric acid i
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Formula: C20H12O7
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Molecular weight: 364.30
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Smiles: C1=CC(=C2C3=C(C(C(O2)C(=O)O)O)C4=C5C(=C31)C=CC(=O)C5=C(C=C4)O)O
Xanalteric acid i
Names
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Mycotoxin name: Xanalteric acid i
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First synonym: Xanalteric acid i
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Synonyms: XANALTERIC ACID I
Identifiers / External links
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PubChem CID: 44605530
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ChEMBL: CHEMBL1082048
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Chemical Entities of Biological Interest (CHEBI): CHEBI:206722
Structure
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Smiles: C1=CC(=C2C3=C(C(C(O2)C(=O)O)O)C4=C5C(=C31)C=CC(=O)C5=C(C=C4)O)O
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Isomeric smiles: C1=CC(=C2C3=C(C(C(O2)C(=O)O)O)C4=C5C(=C31)C=CC(=O)C5=C(C=C4)O)O
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Inchi: InChI=1S/C20H12O7/c21-10-4-1-7-8-2-6-12(23)18-15(8)14(17(24)19(27-18)20(25)26)9-3-5-11(22)16(10)13(7)9/h1-6,17,19,22-24H,(H,25,26)
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Inchikey: CQLXOYJTJZESSP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H12O7
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Molecular weight: 364.30
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Monoisotopic mass: 364.05830272
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Fungi
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Fungi id Species 49 Alternaria sp.