Structure Database (LMSD)

Common Name
6-Hydroxytricetin 6,4',5'-trimethyl ether 3'-rhamnoside
Systematic Name
Synonyms
LM ID
LMPK12111263
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)
YHFWTZYZLODTMZ-IQIHJXOGSA-N
InChi (Click to copy)
InChI=1S/C24H26O12/c1-9-18(27)20(29)21(30)24(34-9)36-16-6-10(5-15(31-2)23(16)33-4)13-7-11(25)17-14(35-13)8-12(26)22(32-3)19(17)28/h5-9,18,20-21,24,26-30H,1-4H3/t9-,18-,20+,21+,24-/m0/s1
SMILES (Click to copy)
C1C(OC)=C(OC)C(O[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)=CC=1C1=CC(=O)C2C(O)=C(OC)C(O)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FEGGS0004
PubChem CID
44258530

Calculated Physicochemical Properties

Heavy Atoms 36
Rings 4
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 425.98
Topological Polar Surface Area 179.58
Hydrogen Bond Donors 5
Hydrogen Bond Acceptors 12
logP 3.44
Molar Refractivity 126.56

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Created at
-
Updated at
22nd Dec 2021