Terrequinone a
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Formula: C32H30N2O3
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Molecular weight: 490.60
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Smiles: CC(=CCC1=C(C(=O)C(=O)C(=C1O)C2=C(NC3=CC=CC=C32)C(C)(C)C=C)C4=CNC5=CC=CC=C54)C
Terrequinone a
Names
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Mycotoxin name: Terrequinone a
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First synonym: Terrequinone a
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Synonyms: Terrequinone A,CHEBI:64534,2-hydroxy-6-(1H-indol-3-yl)-5-(3-methylbut-2-en-1-yl)-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-1,4-benzoquinone,CHEMBL485268,Q27133339
Identifiers / External links
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CAS: 824946-55-6
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PubChem CID: 11317825
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ChEMBL: CHEMBL485268
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Wikidata (wiki): Q27133339
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Chemical Entities of Biological Interest (CHEBI): CHEBI:64534
Structure
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Smiles: CC(=CCC1=C(C(=O)C(=O)C(=C1O)C2=C(NC3=CC=CC=C32)C(C)(C)C=C)C4=CNC5=CC=CC=C54)C
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Isomeric smiles: CC(=CCC1=C(C(=O)C(=O)C(=C1O)C2=C(NC3=CC=CC=C32)C(C)(C)C=C)C4=CNC5=CC=CC=C54)C
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Inchi: InChI=1S/C32H30N2O3/c1-6-32(4,5)31-26(20-12-8-10-14-24(20)34-31)27-28(35)21(16-15-18(2)3)25(29(36)30(27)37)22-17-33-23-13-9-7-11-19(22)23/h6-15,17,33-35H,1,16H2,2-5H3
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Inchikey: NBSHFMWBYVHWNG-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H30N2O3
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Molecular weight: 490.60
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Monoisotopic mass: 490.22564282
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Fungi
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Fungi id Species 174 Aspergillus nidulans