Structure Database (LMSD)

Common Name
3-C-Methylluteolin 5-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12110635
Formula
C22H22O10
Exact Mass
Calculate m/z
446.1213
Status
Active
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)
RWMTYMRPZRIONI-GMXZXDKESA-N
InChi (Click to copy)
InChI=1S/C22H22O10/c1-8-17(26)16-14(31-21(8)10-3-4-12(24)13(25)5-10)6-11(23)7-15(16)32-22-20(29)19(28)18(27)9(2)30-22/h3-7,9,18-20,22-25,27-29H,1-2H3/t9-,18-,19+,20+,22-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(C)C(=O)C=2C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=C1

Other Databases

METABOLOMICS ID
FL3FACGM0001
PubChem CID
44258059

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 373.80
Topological Polar Surface Area 172.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 3.42
Molar Refractivity 113.30

Admin

Created at
-
Updated at
21st Dec 2021