Phomallenic acid a
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Formula: C15H18O3
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Molecular weight: 246.30
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Smiles: CCC(C#CC#CC=C=CCCCCC(=O)O)O
Phomallenic acid a
Names
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Mycotoxin name: Phomallenic acid a
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First synonym: Phomallenic acid a
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Synonyms: Phomallenic acid A,CHEMBL2028080
Identifiers / External links
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CAS: 876126-15-7
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PubChem CID: 11680354
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ChEMBL: CHEMBL2028080
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Chemical Entities of Biological Interest (CHEBI): CHEBI:201675
Structure
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Smiles: CCC(C#CC#CC=C=CCCCCC(=O)O)O
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Isomeric smiles: CCC(C#CC#CC=C=CCCCCC(=O)O)O
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Inchi: InChI=1S/C15H18O3/c1-2-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)18/h4-5,14,16H,2,7,9,11,13H2,1H3,(H,17,18)
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Inchikey: YZCDHRPWTDTXRF-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H18O3
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Molecular weight: 246.30
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Monoisotopic mass: 246.125594432
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