Structure Database (LMSD)

Common Name
Quercetin 7,3',4'-trimethyl ether 3-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12112656
Formula
C24H26O11
Exact Mass
Calculate m/z
490.147515
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)
HCHYKZURXGCQDJ-LYEUIUKESA-N
InChi (Click to copy)
InChI=1S/C24H26O11/c1-10-18(26)20(28)21(29)24(33-10)35-23-19(27)17-13(25)8-12(30-2)9-16(17)34-22(23)11-5-6-14(31-3)15(7-11)32-4/h5-10,18,20-21,24-26,28-29H,1-4H3/t10-,18-,20+,21+,24-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=C(OC)C(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FCFGS0002
PubChem CID
44259629

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 417.19
Topological Polar Surface Area 159.35
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 11
logP 3.73
Molar Refractivity 124.89

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Created at
-
Updated at
21st Dec 2021