Structure Database (LMSD)

Common Name
Luteolin 3'-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12110648
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavones and Flavonols [PK1211]

String Representations

InChiKey (Click to copy)
BEUCMLJKFOWDNP-RWKYHZLCSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-8-18(26)19(27)20(28)21(29-8)31-15-4-9(2-3-11(15)23)14-7-13(25)17-12(24)5-10(22)6-16(17)30-14/h2-8,18-24,26-28H,1H3/t8-,18-,19+,20+,21-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC(O)=C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)C=3)=CC(=O)C=2C(O)=C1

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Viridiplantae (#33090)
Flavonoid imported from http://metabolomics.jp/

Other Databases

METABOLOMICS ID
FL3FACGS0013
PubChem CID
21721958

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 172.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 3.11
Molar Refractivity 108.57

Admin

Created at
-
Updated at
23rd Dec 2021