Penicitrinol b
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Formula: C24H28O6
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Molecular weight: 412.50
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Smiles: CC1C(OC2C3=C(C=C(C(=C13)C)O)OC4=C2C(=O)C(=C5C4(OC(C5C)C)OC)C)C
Penicitrinol b
Names
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Mycotoxin name: Penicitrinol b
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First synonym: Penicitrinol b
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Synonyms: penicitrinol B,Pennicitrinol B,CHEMBL458573
Identifiers / External links
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CAS: 1015760-93-6
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PubChem CID: 24862577
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ChemSpiderID: 23340846
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ChEMBL: CHEMBL458573
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Chemical Entities of Biological Interest (CHEBI): CHEBI:191934
Structure
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Smiles: CC1C(OC2C3=C(C=C(C(=C13)C)O)OC4=C2C(=O)C(=C5C4(OC(C5C)C)OC)C)C
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Isomeric smiles: C[C@@H]1[C@H](O[C@@H]2C3=C(C=C(C(=C13)C)O)OC4=C2C(=O)C(=C5[C@]4(O[C@@H]([C@H]5C)C)OC)C)C
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Inchi: InChI=1S/C24H28O6/c1-9-13(5)28-22-18-16(8-15(25)11(3)17(9)18)29-23-19(22)21(26)12(4)20-10(2)14(6)30-24(20,23)27-7/h8-10,13-14,22,25H,1-7H3/t9-,10-,13-,14-,22-,24-/m1/s1
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Inchikey: YWUROUQKOJZPEJ-ZPLCETTNSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H28O6
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Molecular weight: 412.50
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Monoisotopic mass: 412.18858861
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Fungi
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Fungi id Species 953 Penicillium sp. H9318