Radarin a
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Formula: C28H39NO2
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Molecular weight: 421.60
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Smiles: CC1CCC2(C3CCC(=O)C(C3(CCC2C1(C)CC4=CNC5=C4C=CC(=C5)O)C)C)C
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Type: Indole diterpene
Radarin a
Names
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Mycotoxin name: Radarin a
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First synonym: Radarin a
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Synonyms: Radarin A
Identifiers / External links
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PubChem CID: 101616406
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ChEMBL: CHEMBL9597260
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200333
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SCHEMBL: SCHEMBL9597260
Structure
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Smiles: CC1CCC2(C3CCC(=O)C(C3(CCC2C1(C)CC4=CNC5=C4C=CC(=C5)O)C)C)C
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Isomeric smiles: C[C@@H]1CC[C@]2([C@@H]3CCC(=O)[C@@H]([C@]3(CC[C@@H]2[C@@]1(C)CC4=CNC5=C4C=CC(=C5)O)C)C)C
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Inchi: InChI=1S/C28H39NO2/c1-17-10-12-27(4)24-9-8-23(31)18(2)26(24,3)13-11-25(27)28(17,5)15-19-16-29-22-14-20(30)6-7-21(19)22/h6-7,14,16-18,24-25,29-30H,8-13,15H2,1-5H3/t17-,18+,24-,25+,26-,27+,28+/m1/s1
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Inchikey: QUXMSGOZWRNNMC-OTTCATGESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H39NO2
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Molecular weight: 421.60
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Monoisotopic mass: 421.298079487
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Fungi
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Fungi id Species 257 Aspergillus sulphureus 258 Aspergillus sulphureus NRRL 4077