Structure database (LMSD)

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LM IDLMPR0104170021
Common NameGibberellin A4 (W)
Systematic Name-
Synonyms-
Exact Mass
332.1624 (neutral)    Calculate m/z:
FormulaC19H24O5
CategoryPrenol Lipids [PR]
Main ClassIsoprenoids [PR01]
Sub ClassC20 isoprenoids (diterpenes) [PR0104]
Class Level 4Gibberellins [PR010417]
PubChem CID443457
KEGG IDC11864
CHEBI ID32902
InChIKeyRSQSQJNRHICNNH-NFMPGMCNSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,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 Atoms24Rings5Aromatic Rings0Rotatable Bonds1
 van der Waals
Molecular Volume
311.49Topological Polar
Surface Area
85.90Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
5
 logP2.71Molar
Refractivity
84.83