Asterrelenin
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Formula: C25H25N3O4
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Molecular weight: 431.50
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Smiles: CC(=O)N1C2C(CC3(N2C(=O)C4=CC=CC=C4NC3=O)O)(C5=CC=CC=C51)C(C)(C)C=C
Asterrelenin
Names
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Mycotoxin name: Asterrelenin
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First synonym: Asterrelenin
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Synonyms: Asterrelenin
Identifiers / External links
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CAS: 865092-90-6
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PubChem CID: 11697703
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ChemSpiderID: 9872428
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200867
Structure
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Smiles: CC(=O)N1C2C(CC3(N2C(=O)C4=CC=CC=C4NC3=O)O)(C5=CC=CC=C51)C(C)(C)C=C
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Isomeric smiles: CC(=O)N1[C@@H]2[C@@](C[C@]3(N2C(=O)C4=CC=CC=C4NC3=O)O)(C5=CC=CC=C51)C(C)(C)C=C
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Inchi: InChI=1S/C25H25N3O4/c1-5-23(3,4)24-14-25(32)21(31)26-18-12-8-6-10-16(18)20(30)28(25)22(24)27(15(2)29)19-13-9-7-11-17(19)24/h5-13,22,32H,1,14H2,2-4H3,(H,26,31)/t22-,24+,25-/m0/s1
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Inchikey: VQSXFZXCXRKORH-CAOCKLPOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H25N3O4
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Molecular weight: 431.50
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Monoisotopic mass: 431.18450629
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Fungi
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Fungi id Species 263 Aspergillus terreus