Kasanosin a
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Formula: C22H24O8
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Molecular weight: 416.40
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Smiles: CC1=CC(=CC(=C1C(=O)OC2CC3=C(COC(=C3)C=CCO)C(=O)C2(C)O)O)OC
Kasanosin a
Names
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Mycotoxin name: Kasanosin a
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First synonym: Kasanosin a
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Synonyms: Kasanosin A,CHEMBL458178,BDBM50251277,(6S,7S)-3-(3-Hydroxy-1-propenyl)-6-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-7-hydroxy-7-methyl-5,6,7,8-tetrahydro-1H-2-benzopyran-8-one
Identifiers / External links
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CAS: 1034627-25-2
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PubChem CID: 44567553
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ChemSpiderID: 23340711
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ChEMBL: CHEMBL458178
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Chemical Entities of Biological Interest (CHEBI): CHEBI:226950
Structure
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Smiles: CC1=CC(=CC(=C1C(=O)OC2CC3=C(COC(=C3)C=CCO)C(=O)C2(C)O)O)OC
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Isomeric smiles: CC1=CC(=CC(=C1C(=O)O[C@H]2CC3=C(COC(=C3)/C=C/CO)C(=O)[C@@]2(C)O)O)OC
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Inchi: InChI=1S/C22H24O8/c1-12-7-15(28-3)10-17(24)19(12)21(26)30-18-9-13-8-14(5-4-6-23)29-11-16(13)20(25)22(18,2)27/h4-5,7-8,10,18,23-24,27H,6,9,11H2,1-3H3/b5-4+/t18-,22-/m0/s1
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Inchikey: BZFOKKQJMFIXDI-NQQCORKOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H24O8
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Molecular weight: 416.40
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Monoisotopic mass: 416.14711772
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Fungi
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Fungi id Species 1121 Talaromyces sp.