Kasanosin b
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Formula: C22H24O8
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Molecular weight: 416.40
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Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(CC3=C(C2=O)COC(=C3)C=CCO)O)C)O)OC
Kasanosin b
Names
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Mycotoxin name: Kasanosin b
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First synonym: Kasanosin b
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Synonyms: Kasanosin B,CHEMBL457091,BDBM50251278,(6S,7S)-3-(3-Hydroxy-1-propenyl)-6-hydroxy-7-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-7-methyl-5,6,7,8-tetrahydro-1H-2-benzopyran-8-one
Identifiers / External links
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CAS: 1034627-27-4
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PubChem CID: 44567554
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ChemSpiderID: 23340712
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ChEMBL: CHEMBL457091
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200494
Structure
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Smiles: CC1=CC(=CC(=C1C(=O)OC2(C(CC3=C(C2=O)COC(=C3)C=CCO)O)C)O)OC
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Isomeric smiles: CC1=CC(=CC(=C1C(=O)O[C@]2([C@H](CC3=C(C2=O)COC(=C3)/C=C/CO)O)C)O)OC
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Inchi: InChI=1S/C22H24O8/c1-12-7-15(28-3)10-17(24)19(12)21(27)30-22(2)18(25)9-13-8-14(5-4-6-23)29-11-16(13)20(22)26/h4-5,7-8,10,18,23-25H,6,9,11H2,1-3H3/b5-4+/t18-,22-/m0/s1
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Inchikey: RXZVFRWOOCCTMJ-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.