Structure database (LMSD)

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LM IDLMPK12112500
Common NameMyricetin 4'-methyl ether 3-O-β-D-galactopyranoside
Systematic Name-
Synonyms-
Exact Mass
494.1060 (neutral)    Calculate m/z:
FormulaC22H22O13
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavones and Flavonols [PK1211]
PubChem CID44259503
METABOLOMICS IDFL5FAJGA0002
InChIKeySCHVWZLYQPLPJV-LTTBQIMPSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H22O13/c1-32-20-10(26)2-7(3-11(20)27)19-21(16(29)14-9(25)4-8(24)5-12
(14)33-19)35-22-18(31)17(30)15(28)13(6-23)34-22/h2-5,13,15,17-18,22-28,30-31H,6H
2,1H3/t13?,15-,17-,18?,22-/m0/s1
SMILESC1(O)C=C(O)C=C2OC(C3C=C(O)C(OC)=C(O)C=3)=C(O[C@@H]3OC(CO)[C@H](O)[C@H](O)C3O)C(=
O)C=12
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms35Rings4Aromatic Rings3Rotatable Bonds5
 van der Waals
Molecular Volume
400.17Topological Polar
Surface Area
221.81Hydrogen
Bond Donors
8Hydrogen
Bond Acceptors
13
 logP2.09Molar
Refractivity
118.68