stephacidin a
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Formula: C26H29N3O3
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Molecular weight: 431.50
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Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC4=C3CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
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Type: Indole Alkaloid
stephacidin a
Names
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Mycotoxin name: stephacidin a
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First synonym: (-)-stephacidin a
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Synonyms: (-)-Stephacidin A,sarpong107,CHEMBL4096538,EM07-137C,J2.218.843G
Identifiers / External links
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CAS: 360765-74-8
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PubChem CID: 10274385
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ChemSpiderID: 9582692
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ChEMBL: CHEMBL4096538,CHEMBL12961419
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Chemical Entities of Biological Interest (CHEBI): CHEBI:215742
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SCHEMBL: SCHEMBL12961419
Structure
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Smiles: CC1(C=CC2=C(O1)C=CC3=C2NC4=C3CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
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Isomeric smiles: CC1(C=CC2=C(O1)C=CC3=C2NC4=C3CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)C
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Inchi: InChI=1S/C26H29N3O3/c1-23(2)10-8-15-17(32-23)7-6-14-16-12-26-18(24(3,4)20(16)27-19(14)15)13-25(21(30)28-26)9-5-11-29(25)22(26)31/h6-8,10,18,27H,5,9,11-13H2,1-4H3,(H,28,30)
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Inchikey: YCWBTRJVYADFLQ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H29N3O3
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Molecular weight: 431.50
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Monoisotopic mass: 431.2208918
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Fungi
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Fungi id Species 191 Aspergillus ochraceus 244 Aspergillus sp. MF297-2