Peneciraistin c
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Formula: C19H26O9
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Molecular weight: 398.40
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Smiles: CC1CCC(C2(O1)C(C3=C(CO2)C(=O)C(C(C3)O)(C)O)OC(=O)C)OC(=O)C
Peneciraistin c
Names
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Mycotoxin name: Peneciraistin c
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First synonym: Peneciraistin c
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Synonyms: Peneciraistin C
Identifiers / External links
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CAS: 1361031-80-2
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PubChem CID: 101564886
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ChemSpiderID: 34982015
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200858
Structure
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Smiles: CC1CCC(C2(O1)C(C3=C(CO2)C(=O)C(C(C3)O)(C)O)OC(=O)C)OC(=O)C
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Isomeric smiles: C[C@H]1CC[C@@H]([C@]2(O1)[C@H](C3=C(CO2)C(=O)[C@]([C@H](C3)O)(C)O)OC(=O)C)OC(=O)C
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Inchi: InChI=1S/C19H26O9/c1-9-5-6-15(26-10(2)20)19(28-9)17(27-11(3)21)12-7-14(22)18(4,24)16(23)13(12)8-25-19/h9,14-15,17,22,24H,5-8H2,1-4H3/t9-,14-,15-,17-,18+,19-/m0/s1
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Inchikey: MPVZXVXIZMIJFZ-NVBYNIPGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H26O9
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Molecular weight: 398.40
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Monoisotopic mass: 398.1576824
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Fungi
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Fungi id Species 902 Penicillium raistrickii HQ717799