Paecilosetin
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Formula: C22H31NO4
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Molecular weight: 373.50
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Smiles: CC=CC1C=CC2CC(CCC2C1(C)C(=C3C(=O)C(NC3=O)C(C)O)O)C
Paecilosetin
Names
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Mycotoxin name: Paecilosetin
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First synonym: Paecilosetin
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Synonyms: paecilosetin
Identifiers / External links
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CAS: 856258-89-4
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PubChem CID: 54718903
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ChemSpiderID: 24692867
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Chemical Entities of Biological Interest (CHEBI): CHEBI:214624
Structure
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Smiles: CC=CC1C=CC2CC(CCC2C1(C)C(=C3C(=O)C(NC3=O)C(C)O)O)C
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Isomeric smiles: C/C=C/[C@@H]1C=C[C@@H]2C[C@@H](CC[C@H]2[C@]1(C)/C(=C\3/C(=O)C(NC3=O)C(C)O)/O)C
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Inchi: InChI=1S/C22H31NO4/c1-5-6-15-9-8-14-11-12(2)7-10-16(14)22(15,4)20(26)17-19(25)18(13(3)24)23-21(17)27/h5-6,8-9,12-16,18,24,26H,7,10-11H2,1-4H3,(H,23,27)/b6-5+,20-17+/t12-,13?,14-,15-,16-,18?,22-/m1/s1
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Inchikey: MOMBVLIMWZDBMW-SQYLZNHDSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H31NO4
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Molecular weight: 373.50
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Monoisotopic mass: 373.22530847
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Fungi
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Fungi id Species 708 Paecilomyces farinosus