Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 6-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111215
Formula
C21H20O11
Exact Mass
Calculate m/z
448.100565
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)
GAJQQBUFZGYKLV-IWECZTHTSA-N
InChi (Click to copy)
InChI=1S/C21H20O11/c1-7-16(26)18(28)19(29)21(30-7)32-20-12(25)6-14-15(17(20)27)11(24)5-13(31-14)8-2-3-9(22)10(23)4-8/h2-7,16,18-19,21-23,25-29H,1H3/t7-,16-,18+,19+,21-/m0/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(O)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FECGS0042
PubChem CID
101690826

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 365.29
Topological Polar Surface Area 192.35
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 11
logP 2.82
Molar Refractivity 110.23

Admin

Created at
-
Updated at
27th Dec 2021