Phomallenic acid b
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Formula: C17H22O2
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Molecular weight: 258.35
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Smiles: CCCC#CC#CC=C=CCCCCCCC(=O)O
Phomallenic acid b
Names
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Mycotoxin name: Phomallenic acid b
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First synonym: Phomallenic acid b
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Synonyms: Phomallenic acid B,CHEMBL2028079
Identifiers / External links
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CAS: 876126-16-8
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PubChem CID: 11680457
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ChEMBL: CHEMBL2028079
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Chemical Entities of Biological Interest (CHEBI): CHEBI:198643
Structure
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Smiles: CCCC#CC#CC=C=CCCCCCCC(=O)O
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Isomeric smiles: CCCC#CC#CC=C=CCCCCCCC(=O)O
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Inchi: InChI=1S/C17H22O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h8,10H,2-3,11-16H2,1H3,(H,18,19)
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Inchikey: VMBBTKBMFHKNCM-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H22O2
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Molecular weight: 258.35
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Monoisotopic mass: 258.16197994
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