Structure database (LMSD)

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LM IDLMPK12140006
Common Name-
Systematic Name7-Hydroxyflavanone β-D-glucopyranoside
Synonyms-
Exact Mass
402.1315 (neutral)    Calculate m/z:
FormulaC21H22O8
CategoryPolyketides [PK]
Main ClassFlavonoids [PK12]
Sub ClassFlavanones [PK1214]
PubChem CID42607796
METABOLOMICS IDFL2F19GS0001
InChIKeyHPMCYOSTTZQBAP-VYXTVWSRSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C21H22O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-6-7-13-14(23)9-15(2
8-16(13)8-12)11-4-2-1-3-5-11/h1-8,15,17-22,24-26H,9-10H2/t15-,17?,18+,19-,20?,21
+/m0/s1
SMILESC1(O[C@@H]2OC(CO)[C@@H](O)[C@H](O)C2O)C=CC2C(=O)C[C@@H](C3C=CC=CC=3)OC=2C=1
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms29Rings4Aromatic Rings2Rotatable Bonds4
 van der Waals
Molecular Volume
352.46Topological Polar
Surface Area
129.82Hydrogen
Bond Donors
4Hydrogen
Bond Acceptors
8
 logP2.29Molar
Refractivity
102.65