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ScientificNameLabel
Vaccenic
PHCD compound ID : 3862
Chemical Names :
11-Octadecenoic acid , Vaccenic
Molecular Formula : C18H34O2
Molecular Weight : 282.25588
More Details :
Names & Synonyms: (E)-octadec-11-enoic acid , (E)-11-octadecenoic acid , vaccenic acid
Smiles: CCCCCC/C=C/CCCCCCCCCC(=O)O
InChi : InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7+
InChi Key : InChIKey=UWHZIFQPPBDJPM-BQYQJAHWSA-N
PubChem ID : 5281127
Rotatable bond count : 15 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.607464
Hydrogen bond donor count : 1 Electric dipole moment : 1.932
XLogP : 8.192 VDW volume : 332.191718
Molecular weight : 282.25588 HOMO-LUMO gap : 10.557000
Herb list :
Refrences & Litretures:
  
520.      Journal:'Pharmacognosy Magazine'      Year:'2013'      Volume:'9'      Page:'58'      DOI:'10.4103/0973-1296.108142'      Title:'Characterization and chemical composition of fatty acids content of watermelon and muskmelon cultivars in Saudi Arabia using gas chromatography/mass spectroscopy'
535.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'706'      DOI:'10.1016/j.jfca.2010.02.008'      Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'
738.      Journal:'Grasas y Aceites'      Year:'2007'      Volume:'58'      Page:'359'      DOI:''      Title:'Chemical composition of carrot seeds (Daucus carota L.) cultivated in Turkey: characterization of the seed oil and essential oil'
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