Arugosin a
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Formula: C25H28O6
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Molecular weight: 424.50
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Smiles: CC1=CC(=C2C(=C1OCC=C(C)C)C(OC3=C(C2=O)C(=C(C=C3)CC=C(C)C)O)O)O
Arugosin a
Names
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Mycotoxin name: Arugosin a
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First synonym: Arugosin a (lactol form)
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Synonyms: arugosin A (lactol form),arugosin A,arugosin A (hemiacetal form),CHEBI:64435,1,6,10-trihydroxy-8-methyl-2-(3-methylbut-2-en-1-yl)-7-[(3-methylbut-2-en-1-yl)oxy]dibenzo[b,e]oxepin-11(6H)-one,27503-36-2,CHEMBL495670,Q27133280
Identifiers / External links
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CAS: 27503-36-2
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PubChem CID: 14034679
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ChemSpiderID: 13077573
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ChEMBL: CHEMBL495670
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Wikidata (wiki): Q27133280
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Chemical Entities of Biological Interest (CHEBI): CHEBI:64435
Structure
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Smiles: CC1=CC(=C2C(=C1OCC=C(C)C)C(OC3=C(C2=O)C(=C(C=C3)CC=C(C)C)O)O)O
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Isomeric smiles: CC1=CC(=C2C(=C1OCC=C(C)C)C(OC3=C(C2=O)C(=C(C=C3)CC=C(C)C)O)O)O
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Inchi: InChI=1S/C25H28O6/c1-13(2)6-7-16-8-9-18-20(22(16)27)23(28)19-17(26)12-15(5)24(21(19)25(29)31-18)30-11-10-14(3)4/h6,8-10,12,25-27,29H,7,11H2,1-5H3
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Inchikey: WFHNNILBVLUOKP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H28O6
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Molecular weight: 424.50
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Monoisotopic mass: 424.18858861
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Fungi
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Fungi id Species 227 Aspergillus rugulosus I.M.I.strain 84338