Asterriquinone b1
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Formula: C34H34N2O4
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Molecular weight: 534.60
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Smiles: CC(=CCC1=C2C(=CC=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)OC)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)OC)C
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Type: Indole alkaloid23
Asterriquinone b1
Names
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Mycotoxin name: Asterriquinone b1
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First synonym: Asterriquinone b1
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Synonyms: Asterriquinone B1,CHEMBL18783,78708-35-7
Identifiers / External links
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CAS: 78708-35-7
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PubChem CID: 9828553
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ChemSpiderID: 8004293
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ChEMBL: CHEMBL18783
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Chemical Entities of Biological Interest (CHEBI): CHEBI:199126
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CompTox Chemicals Dashboard (DTXSID): DTXSID501101785
Structure
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Smiles: CC(=CCC1=C2C(=CC=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)OC)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)OC)C
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Isomeric smiles: CC(=CCC1=C2C(=CC=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)OC)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)OC)C
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Inchi: InChI=1S/C34H34N2O4/c1-8-34(4,5)33-25(22-13-9-10-15-24(22)36-33)27-30(38)31(39-6)26(29(37)32(27)40-7)23-18-35-28-20(17-16-19(2)3)12-11-14-21(23)28/h8-16,18,35-36H,1,17H2,2-7H3
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Inchikey: RTPUFVIDLSEXOV-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C34H34N2O4
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Molecular weight: 534.60
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Monoisotopic mass: 534.25185757
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Fungi
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Fungi id Species 263 Aspergillus terreus