11-deacetoxywortmannin
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Formula: C21H22O6
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Molecular weight: 370.40
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Smiles: CC12CCC3=C(C1CCC2=O)C(=O)C4=C5C3(C(OC(=O)C5=CO4)COC)C
11-deacetoxywortmannin
Names
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Mycotoxin name: 11-deacetoxywortmannin
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First synonym: 11-desacetoxywortmannin
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Synonyms: 11-Desacetoxywortmannin,11-Deacetoxywortmannin,UNII-ULH6669QAN,31652-69-4,ULH6669QAN,BRN 1408198,2-Oxaandrosta-5,8-dieno(6,5,4-bc)furan-3,7,17-trione, 1-(methoxymethyl)-,CHEMBL13513,SCHEMBL13615655,DTXSID00953623,3H-Furo(4,3,2-de)indeno(4,5-h)(2)benzopyran-3,6,9-trione, 1,6b-alpha,7,8,9a,10,11,11b-octahydro-1-(methoxymethyl)-9a-beta,11b-beta-dimethyl-,Q27291133,1-(Methoxymethyl)-9a,11b-dimethyl-1,6b,7,8,9a,10,11,11b-octahydro-3H-furo[4,3,2-de]indeno[4,5-h][2]benzopyran-3,6,9-trione
Identifiers / External links
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CAS: 31652-69-4
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PubChem CID: 169340
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ChemSpiderID: 148100
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ChEMBL: CHEMBL13615655,CHEMBL13513
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US FDA (UNII): UNII-ULH6669QAN
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Wikidata (wiki): Q27291133
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207428
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CompTox Chemicals Dashboard (DTXSID): DTXSID00953623
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SCHEMBL: SCHEMBL13615655
Structure
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Smiles: CC12CCC3=C(C1CCC2=O)C(=O)C4=C5C3(C(OC(=O)C5=CO4)COC)C
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Isomeric smiles: C[C@]12CCC3=C([C@@H]1CCC2=O)C(=O)C4=C5[C@@]3([C@H](OC(=O)C5=CO4)COC)C
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Inchi: InChI=1S/C21H22O6/c1-20-7-6-12-15(11(20)4-5-13(20)22)17(23)18-16-10(8-26-18)19(24)27-14(9-25-3)21(12,16)2/h8,11,14H,4-7,9H2,1-3H3/t11-,14+,20-,21-/m0/s1
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Inchikey: GXVZXRZMWGYXMQ-DJOOALQISA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H22O6
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Molecular weight: 370.40
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Monoisotopic mass: 370.14163842
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Fungi
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Fungi id Species 162 Aspergillus janus