Structure Database (LMSD)

Common Name
Myricetin 3',4'-dimethyl ether 3-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12112507
Formula
C23H24O12
Exact Mass
Calculate m/z
492.12678
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)
RUUMZWCRPHTBAN-AYWFVAISSA-N
InChi (Click to copy)
InChI=1S/C23H24O12/c1-8-16(27)18(29)19(30)23(33-8)35-22-17(28)15-11(25)6-10(24)7-13(15)34-20(22)9-4-12(26)21(32-3)14(5-9)31-2/h4-8,16,18-19,23-27,29-30H,1-3H3/t8-,16-,18+,19+,23-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(OC)C(O)=CC=1C1=C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C(=O)C2C(O)=CC(O)=CC=2O1

Other Databases

METABOLOMICS ID
FL5FAKGS0001
PubChem CID
5316875

Calculated Physicochemical Properties

Heavy Atoms 35
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 408.68
Topological Polar Surface Area 190.58
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 12
logP 3.13
Molar Refractivity 121.67

Admin

Created at
-
Updated at
21st Dec 2021