Aurantiomide c
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Formula: C18H20N4O3
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Molecular weight: 340.40
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Smiles: CC(C)C=C1C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CCC(=O)N
Aurantiomide c
Names
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Mycotoxin name: Aurantiomide c
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First synonym: Aurantiomide c
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Synonyms: aurantiomide C,CHEMBL227844,(4S)-1-Isobutylidene-3,6-dioxo-1,2-dihydro-4H-pyrazino[2,1-b]quinazoline-4-propanamide
Identifiers / External links
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CAS: 915190-86-2
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PubChem CID: 16680722
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ChemSpiderID: 17613454
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ChEMBL: CHEMBL227844
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Chemical Entities of Biological Interest (CHEBI): CHEBI:197837
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CompTox Chemicals Dashboard (DTXSID): DTXSID401045596
Structure
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Smiles: CC(C)C=C1C2=NC3=CC=CC=C3C(=O)N2C(C(=O)N1)CCC(=O)N
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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
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Inchi: InChI=1S/C18H20N4O3/c1-10(2)9-13-16-20-12-6-4-3-5-11(12)18(25)22(16)14(17(24)21-13)7-8-15(19)23/h3-6,9-10,14H,7-8H2,1-2H3,(H2,19,23)(H,21,24)/b13-9-/t14-/m0/s1
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Inchikey: UKYRPVOCKVERNT-XXYUJHKVSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H20N4O3
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Molecular weight: 340.40
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Monoisotopic mass: 340.15354051
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Fungi
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Fungi id Species 732 Penicillium aurantiogriseum SP0-19