Asterriquinone SU 5500
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Formula: C34H32N2O5
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Molecular weight: 548.60
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Smiles: CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)OC(=O)C)C4=C(NC5=CC=CC=C54)CC=C(C)C)O)C
Asterriquinone SU 5500
Names
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Mycotoxin name: Asterriquinone SU 5500
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First synonym: None
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Synonyms: Asterriquinone SU-5500,CHEBI:199489,[4-hydroxy-2,5-bis[2-(3-methylbut-2-enyl)-1H-indol-3-yl]-3,6-dioxocyclohexa-1,4-dien-1-yl] acetate
Identifiers / External links
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PubChem CID: 10840361
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Chemical Entities of Biological Interest (CHEBI): CHEBI:199489
Structure
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Smiles: CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)OC(=O)C)C4=C(NC5=CC=CC=C54)CC=C(C)C)O)C
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Isomeric smiles: CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)OC(=O)C)C4=C(NC5=CC=CC=C54)CC=C(C)C)O)C
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Inchi: InChI=1S/C34H32N2O5/c1-18(2)14-16-25-27(21-10-6-8-12-23(21)35-25)29-31(38)32(39)30(34(33(29)40)41-20(5)37)28-22-11-7-9-13-24(22)36-26(28)17-15-19(3)4/h6-15,35-36,38H,16-17H2,1-5H3
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Inchikey: GLHSYPGYNYXAQE-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C34H32N2O5
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Molecular weight: 548.60
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Monoisotopic mass: 548.23112213
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Fungi
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Fungi id Species 102 Aspergillus candidus