Xestodecalactone a
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Formula: C14H16O5
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Molecular weight: 264.27
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Smiles: CC1CCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O
Xestodecalactone a
Names
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Mycotoxin name: Xestodecalactone a
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First synonym: Xestodecalactone a
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Synonyms: Xestodecalactone A,(+)-Xestodecalactone A,CHEMBL516577,(R)-9,11-dihydroxy-4-methyl-4,5,6,7-tetrahydro-1H-benzo[d]oxecine-2,8-dione
Identifiers / External links
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CAS: 474898-59-4
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PubChem CID: 637028
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ChEMBL: CHEMBL516577
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Chemical Entities of Biological Interest (CHEBI): CHEBI:209610
Structure
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Smiles: CC1CCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O
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Isomeric smiles: C[C@@H]1CCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O
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Inchi: InChI=1S/C14H16O5/c1-8-3-2-4-11(16)14-9(6-13(18)19-8)5-10(15)7-12(14)17/h5,7-8,15,17H,2-4,6H2,1H3/t8-/m1/s1
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Inchikey: AQNZLWYQYFPMBX-MRVPVSSYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H16O5
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Molecular weight: 264.27
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Monoisotopic mass: 264.09977361
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Fungi
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Fungi id Species 750 Penicillium cf. montanense