Structure Database (LMSD)

Common Name
Velloquercetin 3,3'-dimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112738
Formula
C22H20O7
Exact Mass
Calculate m/z
396.120905
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)
XMVZPOKNSODJHY-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C22H20O7/c1-10(2)14-8-12-15(28-14)9-17-18(19(12)24)20(25)22(27-4)21(29-17)11-5-6-13(23)16(7-11)26-3/h5-7,9,14,23-24H,1,8H2,2-4H3
SMILES (Click to copy)
C12OC(C(=C)C)CC1=C(O)C1C(=O)C(OC)=C(C3C=C(OC)C(O)=CC=3)OC=1C=2

Other Databases

METABOLOMICS ID
FL5FDDNF0001
PubChem CID
15126639

Calculated Physicochemical Properties

Heavy Atoms 29
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 344.79
Topological Polar Surface Area 100.43
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.95
Molar Refractivity 107.91

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Updated at
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