Structure Database (LMSD)

Common Name
Scutellarein 4'-methyl ether 7-glucoside
Systematic Name
Synonyms
  • Stachannin
LM ID
LMPK12111147
Formula
C22H22O11
Exact Mass
Calculate m/z
462.116215
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)
RHLFBPMNWQGUEI-BZGGIJSCSA-N
InChi (Click to copy)
InChI=1S/C22H22O11/c1-30-10-4-2-9(3-5-10)12-6-11(24)16-13(31-12)7-14(17(25)19(16)27)32-22-21(29)20(28)18(26)15(8-23)33-22/h2-7,15,18,20-23,25-29H,8H2,1H3/t15-,18-,20+,21-,22-/m1/s1
SMILES (Click to copy)
C1C(C2=CC(=O)C3C(O)=C(O)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3O2)=CC=C(OC)C=1

Other Databases

METABOLOMICS ID
FL3FEAGS0043
PubChem CID
15042983

Calculated Physicochemical Properties

Heavy Atoms 33
Rings 4
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 382.59
Topological Polar Surface Area 181.35
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 11
logP 2.68
Molar Refractivity 115.35

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Created at
-
Updated at
12th Nov 2021