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ScientificNameLabel
Vaccenic acid
PHCD compound ID : 4183
Chemical Names :
Vaccenic acid
Molecular Formula : C18H34O2
Molecular Weight : 282.25588
More Details :
Names & Synonyms: octadec-11-enoic acid , 11-octadecenoic 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 : 122325
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:
  
588.      Journal:'Natural Product Research'      Year:'2011'      Volume:'25'      Page:'1524'      DOI:'10.1080/14786410903312991'      Title:'Chemical composition and biological activity of ripe pumpkin fruits (Cucurbita pepo L.) cultivated in Egyptian habitats'
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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