Structure Database (LMSD)

Common Name
Quercetin 3-xylosyl-(1->2)-alpha-L-arabinofuranoside
Systematic Name
Synonyms
LM ID
LMPK12112186
Formula
C25H26O15
Exact Mass
Calculate m/z
566.127175
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)
ZUPASDOWHXCIHQ-BNUMRELZSA-N
InChi (Click to copy)
InChI=1S/C25H26O15/c26-6-15-18(33)23(40-24-20(35)17(32)13(31)7-36-24)25(38-15)39-22-19(34)16-12(30)4-9(27)5-14(16)37-21(22)8-1-2-10(28)11(29)3-8/h1-5,13,15,17-18,20,23-33,35H,6-7H2/t13-,15+,17+,18+,20-,23-,24+,25+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FACGS0021
PubChem CID
44259231

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 457.29
Topological Polar Surface Area 253.34
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
logP 2.32
Molar Refractivity 134.78

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Updated at
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