Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 7-xylosyl-(1->6)-glucoside
Systematic Name
Synonyms
LM ID
LMPK12111217
Formula
C26H28O16
Exact Mass
Calculate m/z
596.13774
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)
YUCWMYFQANRBHW-MXPJCCORSA-N
InChi (Click to copy)
InChI=1S/C26H28O16/c27-9-2-1-8(3-10(9)28)13-4-11(29)17-14(40-13)5-15(19(32)21(17)34)41-26-24(37)22(35)20(33)16(42-26)7-39-25-23(36)18(31)12(30)6-38-25/h1-5,12,16,18,20,22-28,30-37H,6-7H2/t12-,16-,18+,20-,22+,23-,24-,25+,26-/m1/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=C(O)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)O3)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FECGS0044
PubChem CID
101113791

Calculated Physicochemical Properties

Heavy Atoms 42
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 483.38
Topological Polar Surface Area 273.57
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 16
logP 1.97
Molar Refractivity 141.30

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Created at
-
Updated at
3rd Jan 2022