Structure Database (LMSD)
Common Name
Myricetin 3,4'-di-O-alpha-L-rhamnopyranoside
Systematic Name
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Myricetin 3,4'-di-O-alpha-L-rhamnopyranoside
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
String Representations
InChiKey (Click to copy)
FILUBISJJZTQMB-FPBUOGHKSA-N
InChi (Click to copy)
InChI=1S/C27H30O16/c1-7-16(32)19(35)21(37)26(39-7)42-24-12(30)3-9(4-13(24)31)23-25(43-27-22(38)20(36)17(33)8(2)40-27)18(34)15-11(29)5-10(28)6-14(15)41-23/h3-8,16-17,19-22,26-33,35-38H,1-2H3/t7-,8-,16-,17-,19+,20+,21+,22+,26-,27-/m0/s1
SMILES (Click to copy)
C1(O)C=C(O)C=C2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O4)=C(O)C=3)=C(O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)C(=O)C=12
References
Taxonomy Information
Curated from
NCBI taxonomy class
Reference
Viridiplantae
(#33090)
Flavonoid imported from http://metabolomics.jp/
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
43
Rings
5
Aromatic Rings
3
Rotatable Bonds
5
Van der Waals Molecular Volume
500.68
Topological Polar Surface Area
273.57
Hydrogen Bond Donors
10
Hydrogen Bond Acceptors
16
logP
2.46
Molar Refractivity
145.77
Admin
Created at
-
Updated at
3rd Jan 2022