Aurantiomide b
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Formula: C18H22N4O4
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Molecular weight: 358.40
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Smiles: CC(C)CC1(C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CCC(=O)N)O
Aurantiomide b
Names
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Mycotoxin name: Aurantiomide b
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First synonym: Aurantiomide b
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Synonyms: aurantiomide B,CHEMBL227765
Identifiers / External links
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CAS: 915190-84-0
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PubChem CID: 16680721
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ChemSpiderID: 17613453
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ChEMBL: CHEMBL227765
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203770
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CompTox Chemicals Dashboard (DTXSID): DTXSID801045598
Structure
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Smiles: CC(C)CC1(C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CCC(=O)N)O
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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)O
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Inchi: InChI=1S/C18H22N4O4/c1-10(2)9-18(26)17-20-12-6-4-3-5-11(12)16(25)22(17)13(15(24)21-18)7-8-14(19)23/h3-6,10,13,26H,7-9H2,1-2H3,(H2,19,23)(H,21,24)/t13-,18+/m0/s1
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Inchikey: VZHFOIYILDANRZ-SCLBCKFNSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H22N4O4
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Molecular weight: 358.40
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Monoisotopic mass: 358.1641052
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Fungi
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Fungi id Species 732 Penicillium aurantiogriseum SP0-19