Structure Database (LMSD)

Common Name
Eupalitin 5-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12112840
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
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)
PHOIOJCWZNGSNM-LCHUNKDGSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-9-15(25)17(27)19(29)23(32-9)34-22-14-12(8-13(30-2)21(22)31-3)33-20(18(28)16(14)26)10-4-6-11(24)7-5-10/h4-9,15,17,19,23-25,27-29H,1-3H3/t9-,15-,17+,19+,23-/m0/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O)=CC=3)=C(O)C(=O)C=2C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=C1OC

Other Databases

METABOLOMICS ID
FL5FEAGS0014
PubChem CID
44259753

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 399.89
Topological Polar Surface Area 170.35
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 3.43
Molar Refractivity 120.01

Admin

Created at
-
Updated at
21st Dec 2021