Structure Database (LMSD)

Common Name
Morin 3,7,4'-trimethyl ether 2'-glucoside
Systematic Name
Synonyms
LM ID
LMPK12112511
Formula
C24H26O12
Exact Mass
Calculate m/z
506.14243
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)
XYKYCSWHABYWFX-FKYCOBHJSA-N
InChi (Click to copy)
InChI=1S/C24H26O12/c1-31-10-4-5-12(14(7-10)35-24-21(30)20(29)18(27)16(9-25)36-24)22-23(33-3)19(28)17-13(26)6-11(32-2)8-15(17)34-22/h4-8,16,18,20-21,24-27,29-30H,9H2,1-3H3/t16-,18-,20+,21-,24-/m1/s1
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC(OC)=CC=3)=C(OC)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FALGS0001
PubChem CID
44259513

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 425.98
Topological Polar Surface Area 179.58
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 12
logP 2.99
Molar Refractivity 126.79

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Created at
-
Updated at
3rd Jan 2022