Structure database (LMSD)

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LM IDLMPR0104170002
Common NameGibberellin A3 (W)
Systematic Name-
Synonyms-
Exact Mass
346.1416 (neutral)    Calculate m/z:
FormulaC19H22O6
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Gibberellins [PR010417]
PubChem CID439551
KEGG IDC01699
HMDB IDHMDB0003559
CHEBI ID28833
InChIKeyIXORZMNAPKEEDV-OBDJNFEBSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13
(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,
16-,17+,18+,19-/m1/s1
SMILES-
MS SpectraView MoNA MS spectra     
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms25Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
317.64Topological Polar
Surface Area
106.13Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
6
 logP1.89Molar
Refractivity
86.71