13-hydroperoxyoctadecadienoic acid
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Formula: C18H32O4
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Molecular weight: 312.40
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Smiles: CCCCCC(CCCCCCCC=CC=CC(=O)O)OO
13-hydroperoxyoctadecadienoic acid
Names
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Mycotoxin name: 13-hydroperoxyoctadecadienoic acid
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First synonym: 13-hydroperoxyoctadecadienoic acid
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Synonyms: 13-Hydroperoxyoctadecadienoic acid,Octadecadienoic acid, 13-hydroperoxy-,SCHEMBL1394382,28040-10-0
Identifiers / External links
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CAS: 28040-10-0
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PubChem CID: 22508268
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ChemSpiderID: 4510035
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ChEMBL: CHEMBL1394382
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SCHEMBL: SCHEMBL1394382
Structure
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Smiles: CCCCCC(CCCCCCCC=CC=CC(=O)O)OO
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Isomeric smiles: CCCCCC(CCCCCCC/C=C/C=C/C(=O)O)OO
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Inchi: InChI=1S/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h8,10,13,16-17,21H,2-7,9,11-12,14-15H2,1H3,(H,19,20)/b10-8+,16-13+
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Inchikey: QEUHXYPYKZKYFW-ZQHUEGGHSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H32O4
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Molecular weight: 312.40
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Monoisotopic mass: 312.2300595
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Fungi
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Fungi id Species 546 Fusarium oxysporum