Structure Database (LMSD)

Common Name
8-p-Hydroxybenzylquercetin
Systematic Name
Synonyms
LM ID
LMPK12112281
Formula
C22H16O8
Exact Mass
Calculate m/z
408.08452
Status
Curated
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

String Representations

InChiKey (Click to copy)
WSVMVVOOYCCXOK-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H16O8/c23-12-4-1-10(2-5-12)7-13-15(25)9-17(27)18-19(28)20(29)21(30-22(13)18)11-3-6-14(24)16(26)8-11/h1-6,8-9,23-27,29H,7H2
SMILES (Click to copy)
C1(O)=C(CC2C=CC(O)=CC=2)C2OC(C3C=C(O)C(O)=CC=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FACNC0001
PubChem CID
44259325

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 4
Rotatable Bonds 3
Van der Waals Molecular Volume 337.40
Topological Polar Surface Area 151.59
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 8
logP 4.18
Molar Refractivity 107.26

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Updated at
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