Structure database (LMSD)

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LM IDLMPR0104170020
Common NameGibberellin A9 (W)
Systematic Name-
Synonyms-
Exact Mass
316.1675 (neutral)    Calculate m/z:
FormulaC19H24O4
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Gibberellins [PR010417]
PubChem CID443456
KEGG IDC11863
CHEBI ID29605
InChIKeyMHVYWTXXZIFXDT-YGNOGLJPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1
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SMILES
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MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms23Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
302.70Topological Polar
Surface Area
65.67Hydrogen
Bond Donors
1Hydrogen
Bond Acceptors
4
 logP3.45Molar
Refractivity
82.93