Structure Database (LMSD)

Common Name
6-Hydroxymyricetin 6,3',5'-trimethyl ether 3-glucoside
Systematic Name
Synonyms
LM ID
LMPK12113037
Formula
C24H26O14
Exact Mass
Calculate m/z
538.13226
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)
OGQFPRWXDNLKKC-JHCBGXMKSA-N
InChi (Click to copy)
InChI=1S/C24H26O14/c1-33-11-4-8(5-12(34-2)15(11)27)21-23(38-24-20(32)19(31)16(28)13(7-25)37-24)18(30)14-10(36-21)6-9(26)22(35-3)17(14)29/h4-6,13,16,19-20,24-29,31-32H,7H2,1-3H3/t13-,16-,19+,20-,24+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(OC)C(O)=C(OC)C=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FEGGL0001
PubChem CID
44259882

Calculated Physicochemical Properties

Heavy Atoms 38
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 443.56
Topological Polar Surface Area 220.04
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 14
logP 2.40
Molar Refractivity 130.12

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Created at
-
Updated at
27th Oct 2021