Chaetoxanthone a
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Formula: C20H18O7
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Molecular weight: 370.40
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Smiles: CC12CC(CC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5OC)O
Chaetoxanthone a
Names
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Mycotoxin name: Chaetoxanthone a
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First synonym: Chaetoxanthone a
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Synonyms: Chaetoxanthone A,CHEBI:65611,(2S,4R,6S)-4,7-dihydroxy-9-methoxy-2-methyl-3,4,5,6-tetrahydro-2H,8H-2,6-epoxyoxocino[3,2-b]xanthen-8-one,CHEMBL501998,Q27134077
Identifiers / External links
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CAS: 1052639-24-3
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PubChem CID: 44586905
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ChemSpiderID: 24711218
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ChEMBL: CHEMBL501998
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Wikidata (wiki): Q27134077
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Chemical Entities of Biological Interest (CHEBI): CHEBI:65611
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CompTox Chemicals Dashboard (DTXSID): DTXSID501110140
Structure
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Smiles: CC12CC(CC(O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5OC)O
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Isomeric smiles: C[C@]12C[C@@H](C[C@H](O1)C3=C(O2)C=C4C(=C3O)C(=O)C5=C(O4)C=CC=C5OC)O
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Inchi: InChI=1S/C20H18O7/c1-20-8-9(21)6-13(26-20)16-14(27-20)7-12-17(19(16)23)18(22)15-10(24-2)4-3-5-11(15)25-12/h3-5,7,9,13,21,23H,6,8H2,1-2H3/t9-,13+,20+/m1/s1
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Inchikey: PYEDKAHYOPGAKC-PDXJJUDESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H18O7
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Molecular weight: 370.40
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Monoisotopic mass: 370.10525291
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Fungi
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Fungi id Species 347 Chaetomium sp.