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ScientificNameLabel
zizaene
PHCD compound ID : 464
Chemical Names :
zizaene
Molecular Formula : C15H24
Molecular Weight : 204.187801
More Details :
Names & Synonyms:
Smiles: C[C@@H]1CC[C@H]2[C@]31CC[C@@H](C3)C(C2=C)(C)C
InChi : InChI=1S/C15H24/c1-10-5-6-13-11(2)14(3,4)12-7-8-15(10,13)9-12/h10,12-13H,2,5-9H2,1,3-4H3/t10-,12+,13-,15-/m1/s1
InChi Key : InChIKey=VBZRHXLPRWBPEH-CQROYNQRSA-N
PubChem ID : 527247
Rotatable bond count : 0 Rule of five : 1
Hydrogen bond acceptor count : 0 Ionization potential : 9.497188
Hydrogen bond donor count : 0 Electric dipole moment : 0.704
XLogP : 6.444 VDW volume : 228.290393
Molecular weight : 204.187801 HOMO-LUMO gap : 10.845000
Herb list :
Refrences & Litretures:
  
29.      Journal:'Journal of Essential Oil Research'      Year:'2008'      Volume:'20'      Page:'250'      DOI:''      Title:'Aromas from Quebec. I. Composition of the essential oil of the rhizomes of Acorus calamus L'
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