Aurantiomide a
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Formula: C19H24N4O4
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Molecular weight: 372.40
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Smiles: CC(C)CC1(C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CCC(=O)N)OC
Aurantiomide a
Names
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Mycotoxin name: Aurantiomide a
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First synonym: Aurantiomide a
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Synonyms: aurantiomide A,CHEMBL437875
Identifiers / External links
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CAS: 915190-85-1
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PubChem CID: 16681444
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ChemSpiderID: 17614095
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ChEMBL: CHEMBL437875
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Chemical Entities of Biological Interest (CHEBI): CHEBI:217313
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CompTox Chemicals Dashboard (DTXSID): DTXSID101045597
Structure
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Smiles: CC(C)CC1(C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CCC(=O)N)OC
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Isomeric smiles: CC(C)C[C@]1(C2=NC3=CC=CC=C3C(=O)N2[C@H](C(=O)N1)CCC(=O)N)OC
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Inchi: InChI=1S/C19H24N4O4/c1-11(2)10-19(27-3)18-21-13-7-5-4-6-12(13)17(26)23(18)14(16(25)22-19)8-9-15(20)24/h4-7,11,14H,8-10H2,1-3H3,(H2,20,24)(H,22,25)/t14-,19+/m0/s1
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Inchikey: YQGOVBHFRUCFDP-IFXJQAMLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H24N4O4
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Molecular weight: 372.40
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Monoisotopic mass: 372.17975526
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Fungi
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Fungi id Species 732 Penicillium aurantiogriseum SP0-19