Structure Database (LMSD)
Common Name
Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
Systematic Name
5,7-Dihydroxy-4'-methoxy-6,8-di-C-methylflavanone 7-O-β-D-apiofuranosyl-(1->6)-β-D-glucopyranoside
Synonyms
No other lipid differing only in stereochemistry/bond geometry found
3D model of Matteucinol 7-O-beta-D-apiofuranosyl(1->6)-beta-D-glucopyranoside
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)
SBEVOVWWSQLCJK-JOFSYXLSSA-N
InChi (Click to copy)
InChI=1S/C29H36O14/c1-12-20(32)19-16(31)8-17(14-4-6-15(38-3)7-5-14)41-25(19)13(2)24(12)43-27-23(35)22(34)21(33)18(42-27)9-39-28-26(36)29(37,10-30)11-40-28/h4-7,17-18,21-23,26-28,30,32-37H,8-11H2,1-3H3/t17-,18+,21+,22-,23+,26-,27-,28+,29+/m0/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@](CO)(O)CO3)O2)C(C)=C(O)C2C(=O)C[C@@H](C3C=CC(OC)=CC=3)OC=2C=1C
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
2
Rotatable Bonds
8
Van der Waals Molecular Volume
531.24
Topological Polar Surface Area
220.27
Hydrogen Bond Donors
7
Hydrogen Bond Acceptors
14
logP
2.51
Molar Refractivity
149.50
Admin
Created at
-
Updated at
26th Oct 2021