Ruguloxanthone b
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Formula: C25H26O6
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Molecular weight: 422.50
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Smiles: CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(=O)C(C)C)O
Ruguloxanthone b
Names
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Mycotoxin name: Ruguloxanthone b
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First synonym: Ruguloxanthone b
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Synonyms: ruguloxanthone B,CHEMBL1079546
Identifiers / External links
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CAS: 1174549-71-3
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PubChem CID: 44255149
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ChEMBL: CHEMBL1079546
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Chemical Entities of Biological Interest (CHEBI): CHEBI:214277
Structure
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Smiles: CC1=CC2=C(C3=C1OCC(C3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(=O)C(C)C)O
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Isomeric smiles: CC1=CC2=C(C3=C1OC[C@@H]([C@H]3O)C(=C)C)C(=O)C4=C(C=CC(=C4O2)CC(=O)C(C)C)O
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Inchi: InChI=1S/C25H26O6/c1-11(2)15-10-30-24-13(5)8-18-20(21(24)22(15)28)23(29)19-16(26)7-6-14(25(19)31-18)9-17(27)12(3)4/h6-8,12,15,22,26,28H,1,9-10H2,2-5H3/t15-,22-/m1/s1
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Inchikey: YYWJPHKWQNAJGS-IVZQSRNASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H26O6
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Molecular weight: 422.50
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Monoisotopic mass: 422.17293854
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Fungi
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Fungi id Species 471 Emericella rugulosa