Structure database (LMSD)

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LM IDLMPR0103110001
Common NameHumulene (W)
Systematic Name-
Synonyms-
Exact Mass
204.1878 (neutral)    Calculate m/z:
FormulaC15H24
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC15 isoprenoids (sesquiterpenes) [PR0103]
Class Level 4Humulane sesquiterpenoids [PR010311]
PubChem CID5281520
KEGG IDC09684
CHEBI ID5768
CAYMAN ID21574
InChIKeyFAMPSKZZVDUYOS-HRGUGZIWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C15H24/c1-13-7-5-8-14(2)10-12-15(3,4)11-6-9-13/h6-7,10-11H,5,8-9,12H2,1-4H3/b11-6+,13-7+,14-10+
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SMILES
C1C(C)(C)CC=C(C)CCC=C(C)CC=1
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds0
 van der Waals
Molecular Volume
247.78Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.04Molar
Refractivity
68.90