Auranticin b
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Formula: C24H22O8
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Molecular weight: 438.40
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Smiles: CC=C(C)C1=CC(=C(C2=C1OC3=C(C(=CC(=C3C=O)O)C(=CC(=O)O)C)C(=O)O2)C)OC
Auranticin b
Names
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Mycotoxin name: Auranticin b
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First synonym: Auranticin b
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Synonyms: Auranticin B,133943-51-8,CHEMBL517456,(E)-3-[1-[(E)-but-2-en-2-yl]-10-formyl-9-hydroxy-3-methoxy-4-methyl-6-oxobenzo[b][1,4]benzodioxepin-7-yl]but-2-enoic acid,2-Butenoic acid, 3-(4-formyl-3-hydroxy-8-methoxy-9-methyl-6-(1-methyl-1-propenyl)-11-oxo-11H-dibenzo(b,e)(1,4)dioxepin-1-yl)-, (E,E)-
Identifiers / External links
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CAS: 133943-51-8
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PubChem CID: 6439370
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ChemSpiderID: 4943783
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ChEMBL: CHEMBL517456
Structure
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Smiles: CC=C(C)C1=CC(=C(C2=C1OC3=C(C(=CC(=C3C=O)O)C(=CC(=O)O)C)C(=O)O2)C)OC
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Isomeric smiles: C/C=C(\C)/C1=CC(=C(C2=C1OC3=C(C(=CC(=C3C=O)O)/C(=C/C(=O)O)/C)C(=O)O2)C)OC
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Inchi: InChI=1S/C24H22O8/c1-6-11(2)15-9-18(30-5)13(4)21-23(15)31-22-16(10-25)17(26)8-14(12(3)7-19(27)28)20(22)24(29)32-21/h6-10,26H,1-5H3,(H,27,28)/b11-6+,12-7+
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Inchikey: OEOPAPDNSRVRHC-GNXRPPCSSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H22O8
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Molecular weight: 438.40
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Monoisotopic mass: 438.13146766
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Fungi
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Fungi id Species 1058 Preussia aurantiaca (ATCC 14745)