Structure Database (LMSD)

Common Name
Scutellarein 6,7-dimethyl ether 4'-glucoside
Systematic Name
Synonyms
LM ID
LMPK12111122
Formula
C23H24O11
Exact Mass
Calculate m/z
476.131865
Status
Active
Show lipids differing only in stereochemistry/bond geometry
View MassBank spectra

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)
RETJLKUBHXTIGH-FZFRBNDOSA-N
InChi (Click to copy)
InChI=1S/C23H24O11/c1-30-15-8-14-17(19(27)22(15)31-2)12(25)7-13(33-14)10-3-5-11(6-4-10)32-23-21(29)20(28)18(26)16(9-24)34-23/h3-8,16,18,20-21,23-24,26-29H,9H2,1-2H3/t16-,18-,20+,21-,23-/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=CC(=O)C=2C(O)=C1OC

Other Databases

CHEBI ID
192417
METABOLOMICS ID
FL3FEAGS0018
PubChem CID
159460

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 399.89
Topological Polar Surface Area 170.35
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 11
logP 2.98
Molar Refractivity 120.24

Admin

Created at
-
Updated at
4th Jan 2022