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POU-058 / 21:4 n-3 / c9,c12,c15,c18-21:4 |
Names: Methyl (9Z,12Z,15Z,18Z)-heneicosa-9,12,15,18-tetraenoate; (9Z,12Z,15Z,18Z)-Heneicosa-9,12,15,18-tetraenoic acid methyl ester; (Z,Z,Z,Z)-9,12,15,18-Heneicosatetraenoic acid methyl ester; 9Z,12Z,15Z,18Z-Heneicosatetraenoic acid methyl ester; cis-9, cis-12, cis-15, cis-18-Heneicosatetraenoic acid methyl ester
Formula: C22H36O2
Molar mass: 332.525 Da
Monoisotopic mass: 332.272 Da
SMILES: CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC
InChI Key: CMIAOLGYJJFIKA-GJDCDIHCSA-N
InChI: 1S/C22H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-2/h4-5,7-8,10-11,13-14H,3,6,9,12,15-21H2,1-2H3/b5-4-,8-7-,11-10-,14-13-
Names: (9Z,12Z,15Z,18Z)-Heneicosa-9,12,15,18-tetraenoic acid; (Z,Z,Z,Z)-9,12,15,18-Heneicosatetraenoic acid; 9Z,12Z,15Z,18Z-Heneicosatetraenoic acid; cis-9, cis-12, cis-15, cis-18-Heneicosatetraenoic acid
Formula: C21H34O2
Molar mass: 318.498 Da
SMILES: CC\C=C/C/C=C\C\C=C/C/C=C\CCCCCCCC(O)=O
InChI Key: QDRLYNRYDGADBF-LTKCOYKYSA-N
InChI: 1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h3-4,6-7,9-10,12-13H,2,5,8,11,14-20H2,1H3,(H,22,23)/b4-3-,7-6-,10-9-,13-12-
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Data are acquired on Agilent 5972, 5973 and 5975 instruments at Nofima, Institute of Marine Research and University of Bergen. Molecular structures are created in Open Babel. |