Wentilactone a
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Formula: C16H16O6
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Molecular weight: 304.29
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Smiles: CC12C3C(C=C4COC(=O)C=C4C3(C5C(C1O)O5)C)OC2=O
Wentilactone a
Names
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Mycotoxin name: Wentilactone a
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First synonym: Wentilactone a
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Synonyms: Wentilactone A,UNII-581J1Y5MJ6,581J1Y5MJ6,76235-83-1,CHEMBL2011694,DTXSID70997579,3H,8H-Furo(2',3',4':4,5)oxireno(7,8)naphtho(2,1-c)pyran-3,8-dione,1a,2,2a,4a,4b,6,9b,9c-octahydro-2-hydroxy-2a,9b-dimethyl-, (1aR,2R,2aR,4aR,4bR,9bS,9cS)-,Q27261539,2-Hydroxy-2a,9b-dimethyl-1a,2,2a,4a,4b,6,9b,9c-octahydro-3H,8H-furo[2',3',4':4,5]oxireno[7,8]naphtho[2,1-c]pyran-3,8-dione
Identifiers / External links
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CAS: 76235-83-1
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PubChem CID: 156679
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ChEMBL: CHEMBL2011694
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US FDA (UNII): UNII-581J1Y5MJ6
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Wikidata (wiki): Q27261539
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CompTox Chemicals Dashboard (DTXSID): DTXSID70997579
Structure
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Smiles: CC12C3C(C=C4COC(=O)C=C4C3(C5C(C1O)O5)C)OC2=O
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Isomeric smiles: C[C@@]12[C@@H]3[C@@H](C=C4COC(=O)C=C4[C@]3([C@H]5[C@@H]([C@@H]1O)O5)C)OC2=O
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Inchi: InChI=1S/C16H16O6/c1-15-7-4-9(17)20-5-6(7)3-8-11(15)16(2,14(19)21-8)12(18)10-13(15)22-10/h3-4,8,10-13,18H,5H2,1-2H3/t8-,10-,11-,12+,13-,15-,16-/m1/s1
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Inchikey: UBQJSYFOVWBSFP-XUBUYMCTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H16O6
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Molecular weight: 304.29
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Monoisotopic mass: 304.09468823
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Fungi
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Fungi id Species 291 Aspergillus wentii