8-chlororugulovasine a
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Formula: C16H15ClN2O2
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Molecular weight: 302.75
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Smiles: CC1=CC2(C(CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
8-chlororugulovasine a
Names
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Mycotoxin name: 8-chlororugulovasine a
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First synonym: 8-chlororugulovasine a
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Synonyms: 8-Chlororugulovasine A,59787-45-0,UNII-L5FM3F581N,L5FM3F581N,(4S,5R)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydro-1H-benzo[cd]indole-5,5'-furan]-2'-one,Toxin B (Penicillium islandicum),DTXSID50208519,Spiro(benz(cd)indole-5(1H),2'(5'H)-furan)-5'-one, 3,4-dihydro-8-chloro-4'-methyl-4-(methylamino)-, cis-(+-)-
Identifiers / External links
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CAS: 59787-45-0
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PubChem CID: 3036626
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DSS TOX CID: DTXCID50131010
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ChemSpiderID: 2300607
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US FDA (UNII): UNII-L5FM3F581N
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Chemical Entities of Biological Interest (CHEBI): CHEBI:222552
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CompTox Chemicals Dashboard (DTXSID): DTXSID50208519
Structure
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Smiles: CC1=CC2(C(CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
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Isomeric smiles: CC1=C[C@@]2([C@H](CC3=CNC4=C(C=CC2=C34)Cl)NC)OC1=O
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Inchi: InChI=1S/C16H15ClN2O2/c1-8-6-16(21-15(8)20)10-3-4-11(17)14-13(10)9(7-19-14)5-12(16)18-2/h3-4,6-7,12,18-19H,5H2,1-2H3/t12-,16+/m0/s1
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Inchikey: SDYOUVJWVNBXPX-BLLLJJGKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H15ClN2O2
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Molecular weight: 302.75
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Monoisotopic mass: 302.0822054
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Fungi
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Fungi id Species 834 Penicillium islandicum