Paeciloquinone f
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Formula: C20H14O9
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Molecular weight: 398.30
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Smiles: CC12CCC(O1)(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O)C(=O)O
Paeciloquinone f
Names
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Mycotoxin name: Paeciloquinone f
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First synonym: Paeciloquinone f
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Synonyms: Paeciloquinone F,DTXSID50780108,162797-37-7,3,4,7,12-tetrahydro-6,8,1 0-trihydroxy-2-methyl-7,12-dioxo-2,5-epoxyanthra[2,3-b]oxepin-5(2h)-carboxylic acid,6,8,10-Trihydroxy-2-methyl-7,12-dioxo-3,4,7,12-tetrahydro-2,5-epoxyanthra[2,3-b]oxepine-5(2H)-carboxylic acid
Identifiers / External links
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CAS: 162797-37-7
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PubChem CID: 71355880
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ChemSpiderID: 78439658
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203340
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CompTox Chemicals Dashboard (DTXSID): DTXSID50780108
Structure
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Smiles: CC12CCC(O1)(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O)C(=O)O
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Isomeric smiles: C[C@]12CC[C@](O1)(C3=C(O2)C=C4C(=C3O)C(=O)C5=C(C4=O)C=C(C=C5O)O)C(=O)O
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Inchi: InChI=1S/C20H14O9/c1-19-2-3-20(29-19,18(26)27)14-11(28-19)6-9-13(17(14)25)16(24)12-8(15(9)23)4-7(21)5-10(12)22/h4-6,21-22,25H,2-3H2,1H3,(H,26,27)/t19-,20+/m1/s1
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Inchikey: VFXZFYHLJCNYMX-UXHICEINSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H14O9
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Molecular weight: 398.30
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Monoisotopic mass: 398.06378202
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Fungi
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Fungi id Species 705 Paecilomyces carneus P-177