Structure database (LMSD)

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LM IDLMPR0104170004
Common NameGibberellin A20 (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 CID439635
KEGG IDC02035
CHEBI ID27742
InChIKeyOXFPYCSNYOFUCH-KQBHUUJHSA-N  Show lipids differing only in stereochemistry/bond geometry
InChI
InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,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
 logP2.85Molar
Refractivity
84.90