Structure database (LMSD)
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  MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".
LM IDLMPR0102010003
Common NameGeranial (W)
Systematic NameGeranial
Synonyms-
Exact Mass
152.1201 (neutral)    Calculate m/z:
FormulaC10H16O
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC10 isoprenoids (monoterpenes) [PR0102]
Class Level 4Acyclic monoterpenoids [PR010201]
PubChem CID638011
KEGG IDC01499
HMDB IDHMDB0035078
CHEBI ID16980
InChIKeyWTEVQBCEXWBHNA-JXMROGBWSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3/b10-7+
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SMILES
C(/C)(=C/C=O)\CC/C=C(\C)/C
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms11Rings0Aromatic Rings0Rotatable Bonds4
 van der Waals
Molecular Volume		182.43Topological Polar
Surface Area		17.07Hydrogen
Bond Donors		0Hydrogen
Bond Acceptors		1
 logP2.88Molar
Refractivity		48.49