Asperpyrone a
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Formula: C31H24O10
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Molecular weight: 556.50
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Smiles: CC1=CC(=C2C(=CC3=CC(=O)C(=C(C3=C2O1)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)O)O
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Type: Bis-naphthopyrone
Asperpyrone a
Names
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Mycotoxin name: Asperpyrone a
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First synonym: Asperpyrone a
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Synonyms: Asperpyrone A,(aS)-asperpyrone A,CHEMBL448384,BDBM50539729,10-(5,8-dihydroxy-10-methoxy-2-methyl-4-oxo-4H-benzo[h]chromen-9-yl)-5-hydroxy-6,8-dimethoxy-2-methyl-4H-benzo[g]chromen-4-one,10-(5,8-Dihydroxy-10-methoxy-2-methyl-4-oxo-4H-benzo[h]chromen-9-yl)-5-hydroxy-6,8-dimethoxy-2-methyl-benzo[g]chromen-4-one,4H-naphtho[2,3-b]pyran-4-one, 10-(5,8-dihydroxy-10-methoxy-2-methyl-4-oxo-4H-naphtho[1,2-b]pyran-9-yl)-5-hydroxy-6,8-dimethoxy-2-methyl-,5,8-dihydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxo-benzo[g]chromen-10-yl)-10-methoxy-2-methyl-benzo[h]chromen-4-one
Identifiers / External links
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CAS: 24-16-1
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PubChem CID: 637172
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ChemSpiderID: 4481122
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ChEMBL: CHEMBL448384
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Chemical Entities of Biological Interest (CHEBI): CHEBI:199214,CHEBI:226791
Structure
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Smiles: CC1=CC(=C2C(=CC3=CC(=O)C(=C(C3=C2O1)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)O)O
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Isomeric smiles: CC1=CC(=C2C(=CC3=CC(=O)C(=C(C3=C2O1)OC)C4=C5C(=C(C6=C4C=C(C=C6OC)OC)O)C(=O)C=C(O5)C)O)O
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Inchi: InChI=1S/C31H24O10/c1-12-6-17(32)25-19(34)8-14-9-20(35)26(29(39-5)22(14)30(25)40-12)24-16-10-15(37-3)11-21(38-4)23(16)28(36)27-18(33)7-13(2)41-31(24)27/h6-11,32,34,36H,1-5H3
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Inchikey: URHOXQWBGQQUMQ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C31H24O10
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Molecular weight: 556.50
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Monoisotopic mass: 556.13694696
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Fungi
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Fungi id Species 176 Aspergillus niger 185 Aspergillus niger JV33-48 275 Aspergillus tubingensis