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ScientificNameLabel
Moroctic acid
PHCD compound ID : 3264
Chemical Names :
Moroctic acid
Molecular Formula : C18H28O2
Molecular Weight : 276.20893
More Details :
Names & Synonyms: (6E,9E,12E,15E)-octadeca-6,9,12,15-tetraenoic acid
Smiles: CC/C=C/C/C=C/C/C=C/C/C=C/CCCCC(=O)O
InChi : InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3+,7-6+,10-9+,13-12+
InChi Key : InChIKey=JIWBIWFOSCKQMA-GFRMADBLSA-N
PubChem ID : 5282837
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 9.458814
Hydrogen bond donor count : 1 Electric dipole moment : 1.685
XLogP : 7.211 VDW volume : 324.282342
Molecular weight : 276.20893 HOMO-LUMO gap : 10.305000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
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