Structure database (LMSD)

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LM IDLMPK12130034
Common NameAureusidin 6-rhamnoside
Systematic Name-
Synonyms-
Exact Mass
432.1057 (neutral)    Calculate m/z:
FormulaC21H20O10
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607766
METABOLOMICS IDFL1AACGS0003
InChIKeySMAKMLPEIWBYJR-RRZBCFIOSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H20O10/c1-8-17(25)19(27)20(28)21(29-8)30-10-6-13(24)16-14(7-10)31-15
(18(16)26)5-9-2-3-11(22)12(23)4-9/h2-8,17,19-25,27-28H,1H3/t8?,17-,19-,20?,21-/m
0/s1
SMILESC12C(=O)C(=CC3C=C(O)C(O)=CC=3)OC=1C=C(O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O)C=C2O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms31Rings4Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
367.40Topological Polar
Surface Area
170.28Hydrogen
Bond Donors
6Hydrogen
Bond Acceptors
10
 logP2.06Molar
Refractivity
106.36