Phomallenic acid c
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Formula: C18H24O2
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Molecular weight: 272.40
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Smiles: CCCC#CC#CC=C=CCCCCCCCC(=O)O
Phomallenic acid c
Names
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Mycotoxin name: Phomallenic acid c
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First synonym: Phomallenic acid c
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Synonyms: Phomallenic acid C,CHEMBL2028081
Identifiers / External links
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CAS: 876126-17-9
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PubChem CID: 11608761
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ChEMBL: CHEMBL2028081
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207566
Structure
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Smiles: CCCC#CC#CC=C=CCCCCCCCC(=O)O
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Isomeric smiles: CCCC#CC#CC=C=CCCCCCCCC(=O)O
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Inchi: InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8,10H,2-3,11-17H2,1H3,(H,19,20)
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Inchikey: KSAZGINEUAUMNR-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H24O2
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Molecular weight: 272.40
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Monoisotopic mass: 272.177630004
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