Structure database (LMSD)

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LM IDLMPK12140032
Common NameLicorice glycoside E
Systematic Name-
Synonyms-
Exact Mass
693.2058 (neutral)    Calculate m/z:
FormulaC35H35NO14
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607811
METABOLOMICS IDFL2F1AGSN001
InChIKeyGNJDLKNJCWOSBO-LKYFMKHGSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C35H35NO14/c37-14-27-28(40)29(41)30(50-34-31(42)35(44,16-46-34)15-45-32
(43)22-13-36-23-4-2-1-3-20(22)23)33(49-27)47-19-8-5-17(6-9-19)25-12-24(39)21-10-
7-18(38)11-26(21)48-25/h1-11,13,25,27-31,33-34,36-38,40-42,44H,12,14-16H2/t25-,2
7?,28+,29-,30?,31+,33+,34-,35?/m0/s1
SMILES-
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms50Rings7Aromatic Rings4Rotatable Bonds10
 van der Waals
Molecular Volume
586.32Topological Polar
Surface Area
232.90Hydrogen
Bond Donors
7Hydrogen
Bond Acceptors
14
 logP4.08Molar
Refractivity
174.90