Structure Database (LMSD)

Common Name
Velloquercetin
Systematic Name
Synonyms
LM ID
LMPK12112283
Formula
C20H16O7
Exact Mass
Calculate m/z
368.089605
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

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

String Representations

InChiKey (Click to copy)
YFDRNZOCVRPNBL-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C20H16O7/c1-8(2)13-6-10-14(26-13)7-15-16(17(10)23)18(24)19(25)20(27-15)9-3-4-11(21)12(22)5-9/h3-5,7,13,21-23,25H,1,6H2,2H3
SMILES (Click to copy)
C12OC(C(=C)C)CC1=C(O)C1C(=O)C(O)=C(C3C=C(O)C(O)=CC=3)OC=1C=2

References

Taxonomy Information

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

Other Databases

KEGG ID
C10194
CHEBI ID
9941
METABOLOMICS ID
FL5FACNF0001
PubChem CID
442663

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 310.19
Topological Polar Surface Area 122.43
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
logP 4.35
Molar Refractivity 98.13

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Created at
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Updated at
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