Xyloketal j
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Formula: C32H38O6
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Molecular weight: 518.60
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Smiles: CC1COC2(C1CC3=C(C(=C4C(=C3O2)CC5C(COC5(O4)C)C)CC6=CC7=C(C=C6)OC(C7)C(=C)C)O)C
Xyloketal j
Names
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Mycotoxin name: Xyloketal j
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First synonym: Xyloketal j
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Synonyms: xyloketal J,CHEMBL521745
Identifiers / External links
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CAS: 1035349-32-6
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PubChem CID: 24970514
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ChEMBL: CHEMBL521745
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203207
Structure
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Smiles: CC1COC2(C1CC3=C(C(=C4C(=C3O2)CC5C(COC5(O4)C)C)CC6=CC7=C(C=C6)OC(C7)C(=C)C)O)C
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Isomeric smiles: C[C@H]1CO[C@]2([C@@H]1CC3=C(C(=C4C(=C3O2)C[C@@H]5[C@H](CO[C@@]5(O4)C)C)CC6=CC7=C(C=C6)OC(C7)C(=C)C)O)C
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Inchi: InChI=1S/C32H38O6/c1-16(2)27-11-20-9-19(7-8-26(20)36-27)10-21-28(33)22-12-24-17(3)14-34-31(24,5)38-30(22)23-13-25-18(4)15-35-32(25,6)37-29(21)23/h7-9,17-18,24-25,27,33H,1,10-15H2,2-6H3/t17-,18-,24+,25+,27?,31+,32+/m0/s1
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Inchikey: CFRIENBZULZHAO-SZRJWENPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H38O6
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Molecular weight: 518.60
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Monoisotopic mass: 518.26683893
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Fungi
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Fungi id Species