Phomacin b
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Formula: C25H37NO5
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Molecular weight: 431.60
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Smiles: CC1C2C(NC(=O)C23C(C=C(CC(CC(C=CC(=O)O3)O)CO)C)C=C1C)CC(C)C
Phomacin b
Names
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Mycotoxin name: Phomacin b
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First synonym: Phomacin b
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Synonyms: Phomacin B,(3Z,5S,7S,9E,10aS,13S,13aS,14S,16aR)-5-hydroxy-7-(hydroxymethyl)-9,12,13-trimethyl-14-(2-methylpropyl)-6,7,8,10a,13,13a,14,15-octahydro-2H-oxacyclododecino[2,3-d]isoindole-2,16(5H)-dione,CHEBI:66747,Q27135371
Identifiers / External links
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CAS: 187847-11-6
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PubChem CID: 10622584
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Wikidata (wiki): Q27135371
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Chemical Entities of Biological Interest (CHEBI): CHEBI:66747
Structure
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Smiles: CC1C2C(NC(=O)C23C(C=C(CC(CC(C=CC(=O)O3)O)CO)C)C=C1C)CC(C)C
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Isomeric smiles: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(/C[C@@H](C[C@@H](/C=C\C(=O)O3)O)CO)\C)C=C1C)CC(C)C
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Inchi: InChI=1S/C25H37NO5/c1-14(2)8-21-23-17(5)16(4)11-19-10-15(3)9-18(13-27)12-20(28)6-7-22(29)31-25(19,23)24(30)26-21/h6-7,10-11,14,17-21,23,27-28H,8-9,12-13H2,1-5H3,(H,26,30)/b7-6-,15-10+/t17-,18+,19+,20-,21+,23+,25-/m1/s1
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Inchikey: IXONDWQZWWLZDF-ZCMVJGEESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C25H37NO5
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Molecular weight: 431.60
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Monoisotopic mass: 431.26717328
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