Structure Database (LMSD)

HO HO HO O O OH HO OH O O
Common Name
Eriodictyol 5-O-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12140360
Formula
C21H22O10
Exact Mass
Calculate m/z
434.1213
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Polyketides [PK]
Flavonoids [PK12]
Flavanones [PK1214]

String Representations

InChiKey (Click to copy)
TXYBXOHMFUMMRH-YYGVKBLPSA-N
InChi (Click to copy)
InChI=1S/C21H22O10/c1-8-18(26)19(27)20(28)21(29-8)31-16-6-10(22)5-15-17(16)13(25)7-14(30-15)9-2-3-11(23)12(24)4-9/h2-6,8,14,18-24,26-28H,7H2,1H3/t8-,14?,18-,19+,20+,21-/m0/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](C)O2)=C1

References

Taxonomy Information

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

Other Databases

METABOLOMICS ID
FL2FACGS0002
PubChem CID
42607967

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 2
Rotatable Bonds 3
Van der Waals Molecular Volume 370.04
Topological Polar Surface Area 170.28
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 2.15
Molar Refractivity 105.74

Admin

Created at
-
Updated at
26th Oct 2021