Structure Database (LMSD)

Common Name
6-Hydroxytricetin 6,7,3',5'-tetramethyl eter 5-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111265
Formula
C25H28O12
Exact Mass
Calculate m/z
520.15808
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)
AVIYDUVKGLRVQV-NOBUMVLJSA-N
InChi (Click to copy)
InChI=1S/C25H28O12/c1-10-19(27)21(29)22(30)25(35-10)37-24-18-12(26)8-13(36-14(18)9-17(33-4)23(24)34-5)11-6-15(31-2)20(28)16(7-11)32-3/h6-10,19,21-22,25,27-30H,1-5H3/t10-,19-,21+,22+,25-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(O)C(OC)=CC=1C1=CC(=O)C2C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)=C(OC)C(OC)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FEGGS0006
PubChem CID
44258532

Calculated Physicochemical Properties

Heavy Atoms 37
Rings 4
Aromatic Rings 3
Rotatable Bonds 7
Van der Waals Molecular Volume 443.28
Topological Polar Surface Area 168.58
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 12
logP 3.74
Molar Refractivity 131.44

Admin

Created at
-
Updated at
21st Dec 2021