Structure database (LMSD)

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LM IDLMPK12130002
Common Name-
Systematic Name6,4'-Dihydroxy-7-methylaurone 6-rhamnoside
Synonyms-
Exact Mass
414.1315 (neutral)    Calculate m/z:
FormulaC22H22O8
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassAurone flavonoids [PK1213]
PubChem CID42607739
METABOLOMICS IDFL1A1AGM0001
InChIKeyQAHBZNNBXKMITG-HTAXITMSSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H22O8/c1-10-15(30-22-20(27)19(26)17(24)11(2)28-22)8-7-14-18(25)16(29
-21(10)14)9-12-3-5-13(23)6-4-12/h3-9,11,17,19-20,22-24,26-27H,1-2H3/t11?,17-,19-
,20?,22-/m0/s1
SMILESC12C(=O)C(=CC3C=CC(O)=CC=3)OC=1C(C)=C(O[C@@H]1OC(C)[C@H](O)[C@H](O)C1O)C=C2
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms30Rings4Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
367.12Topological Polar
Surface Area
129.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
8
 logP2.96Molar
Refractivity
107.76