Spiropreussomerin a
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Formula: C20H14O5
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Molecular weight: 334.30
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Smiles: C1=CC2=C3C(=C1)OC4(C5C(O5)C(C6=C4C=C(C=C6)O)O)OC3=CC=C2
Spiropreussomerin a
Names
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Mycotoxin name: Spiropreussomerin a
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First synonym: Spiropreussomerin a
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Synonyms: spiropreussomerin A,CHEMBL1078032
Identifiers / External links
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CAS: 1187303-48-5
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PubChem CID: 44479484
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ChEMBL: CHEMBL1078032
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Chemical Entities of Biological Interest (CHEBI): CHEBI:206707
Structure
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Smiles: C1=CC2=C3C(=C1)OC4(C5C(O5)C(C6=C4C=C(C=C6)O)O)OC3=CC=C2
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Isomeric smiles: C1=CC2=C3C(=C1)OC4([C@H]5[C@H](O5)[C@@H](C6=C4C=C(C=C6)O)O)OC3=CC=C2
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Inchi: InChI=1S/C20H14O5/c21-11-7-8-12-13(9-11)20(19-18(23-19)17(12)22)24-14-5-1-3-10-4-2-6-15(25-20)16(10)14/h1-9,17-19,21-22H/t17-,18-,19-/m1/s1
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Inchikey: WVZWQAVVNMSFEX-GUDVDZBRSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H14O5
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Molecular weight: 334.30
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Monoisotopic mass: 334.08412354
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Fungi
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Fungi id Species 1060 Preussia sp.