Structure database (LMSD)

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LM IDLMPR0103090001
Common Name(+) Germacrene A (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 4Germacrane sesquiterpenoids [PR010309]
PubChem Compound ID (CID)9548705
METABOLOMICS ID-
KEGG ID-
HMDB ID-
YMDB ID-
CHEBI ID41595
InChIKeyXMRKUJJDDKYUHV-DFSVIBJJSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h6,9,15H,1,5,7-8,10-11H2
,2-4H3/b13-6+,14-9+/t15-/m1/s1
SMILESCC1CC[C@@H](CC=C(C)CCC=1)C(C)=C
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings1Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
247.78Topological Polar
Surface Area
0.00Hydrogen
Bond Donors
0Hydrogen
Bond Acceptors
0
 logP5.04Molar
Refractivity
68.90    
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