Chaetoxanthone b
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Formula: C20H18O6
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Molecular weight: 354.40
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Smiles: CC12CCCC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5OC
Chaetoxanthone b
Names
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Mycotoxin name: Chaetoxanthone b
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First synonym: Chaetoxanthone b
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Synonyms: Chaetoxanthone B,CHEBI:65612,7-hydroxy-9-methoxy-2-methyl-3,4,5,6-tetrahydro-2H,8H-2,6-epoxyoxocino[3,2-b]xanthen-8-one,CHEMBL527064,NCGC00380967-01!,Q27134078
Identifiers / External links
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CAS: 1052639-25-4
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PubChem CID: 44586906
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ChemSpiderID: 24720687
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ChEMBL: CHEMBL527064
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Wikidata (wiki): Q27134078
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Chemical Entities of Biological Interest (CHEBI): CHEBI:65612
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CompTox Chemicals Dashboard (DTXSID): DTXSID601121211
Structure
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Smiles: CC12CCCC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5OC
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Isomeric smiles: CC12CCCC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5OC
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Inchi: InChI=1S/C20H18O6/c1-20-8-4-7-12(25-20)16-14(26-20)9-13-17(19(16)22)18(21)15-10(23-2)5-3-6-11(15)24-13/h3,5-6,9,12,22H,4,7-8H2,1-2H3
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Inchikey: ZUEKQPJBVORAFH-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H18O6
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Molecular weight: 354.40
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Monoisotopic mass: 354.11033829
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Fungi
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Fungi id Species 347 Chaetomium sp.