Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 5-glucoside
Systematic Name
Synonyms
LM ID
LMPK12111175
Formula
C21H20O12
Exact Mass
Calculate m/z
464.09548
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)
XJHWBSXROLODMH-VPRICQMDSA-N
InChi (Click to copy)
InChI=1S/C21H20O12/c22-6-14-17(28)18(29)19(30)21(32-14)33-20-15-10(25)4-12(7-1-2-8(23)9(24)3-7)31-13(15)5-11(26)16(20)27/h1-5,14,17-19,21-24,26-30H,6H2/t14-,17-,18+,19-,21+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=C1O

Other Databases

METABOLOMICS ID
FL3FECGS0002
PubChem CID
5488685

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 374.08
Topological Polar Surface Area 212.58
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 2.08
Molar Refractivity 112.13

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Created at
-
Updated at
18th Nov 2021