Structure database (LMSD)

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LM IDLMPK12130045
Common Name-
Systematic Name6-Hydroxy-5-methyl-3',4',5'-trimethoxyaurone-4-O-α-L-rhamnopyranoside
Synonyms-
Exact Mass
504.1632 (neutral)    Calculate m/z:
FormulaC25H28O11
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607775
METABOLOMICS IDFL1AAKGM0001
InChIKeyJSFYFXORWHHVRW-PXAHRWAASA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C25H28O11/c1-10-13(26)9-14-18(23(10)36-25-22(30)21(29)19(27)11(2)34-25)
20(28)15(35-14)6-12-7-16(31-3)24(33-5)17(8-12)32-4/h6-9,11,19,21-22,25-27,29-30H
,1-5H3/b15-6+/t11?,19-,21?,22-,25-/m0/s1
SMILESC1(O[C@@H]2OC(C)[C@H](O)C(O)[C@@H]2O)C(C)=C(O)C=C2O/C(=C/C3C=C(OC)C(OC)=C(OC)C=3
)/C(=O)C=12
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms36Rings4Aromatic Rings2Rotatable Bonds6
 van der Waals
Molecular Volume
445.39Topological Polar
Surface Area
157.51Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
11
 logP2.98Molar
Refractivity
127.42