Aspergiolide b
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Formula: C26H18O9
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Molecular weight: 474.40
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Smiles: CC1=CC(=CC(=C1C(=O)C2=C3C4=C(C(=CC(=C4)O)OC)C(=O)C5=C(C=C(C(=C35)OC2=O)C)O)O)O
Aspergiolide b
Names
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Mycotoxin name: Aspergiolide b
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First synonym: Aspergiolide b
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Synonyms: Aspergiolide B,CHEMBL575190
Identifiers / External links
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CAS: 1085706-29-1
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PubChem CID: 25157273
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ChemSpiderID: 24637894
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ChEMBL: CHEMBL575190
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Chemical Entities of Biological Interest (CHEBI): CHEBI:213951
Structure
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Smiles: CC1=CC(=CC(=C1C(=O)C2=C3C4=C(C(=CC(=C4)O)OC)C(=O)C5=C(C=C(C(=C35)OC2=O)C)O)O)O
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Isomeric smiles: CC1=CC(=CC(=C1C(=O)C2=C3C4=C(C(=CC(=C4)O)OC)C(=O)C5=C(C=C(C(=C35)OC2=O)C)O)O)O
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Inchi: InChI=1S/C26H18O9/c1-9-4-11(27)7-15(30)17(9)23(31)22-19-13-6-12(28)8-16(34-3)18(13)24(32)20-14(29)5-10(2)25(21(19)20)35-26(22)33/h4-8,27-30H,1-3H3
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Inchikey: JZRWJIYIEFXUOK-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C26H18O9
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Molecular weight: 474.40
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Monoisotopic mass: 474.09508215
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Fungi
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Fungi id Species 157 Aspergillus glaucus