Structure database (LMSD)

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LM IDLMPK12140005
Common Name-
Systematic Name7-Hydroxy-6,8-di-C-methylflavanone 7-O-arabinoside
Synonyms-
Exact Mass
400.1522 (neutral)    Calculate m/z:
FormulaC22H24O7
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607795
METABOLOMICS IDFL2F19GM0001
InChIKeyRLPHVYYMPXVDER-WGPZSCIYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C22H24O7/c1-11-8-14-15(23)9-17(13-6-4-3-5-7-13)28-21(14)12(2)20(11)29-2
2-19(26)18(25)16(24)10-27-22/h3-8,16-19,22,24-26H,9-10H2,1-2H3/t16-,17?,18-,19?,
22-/m0/s1
SMILESC1(C)C(O[C@@H]2OC[C@H](O)[C@H](O)C2O)=C(C)C2OC(C3C=CC=CC=3)CC(=O)C=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings2Rotatable Bonds3
 van der Waals
Molecular Volume
360.97Topological Polar
Surface Area
109.59Hydrogen
Bond Donors
3Hydrogen
Bond Acceptors
7
 logP3.26Molar
Refractivity
105.60