Structure Database (LMSD)

Common Name
8-C-Rhamnosyleuropetin
Systematic Name
Synonyms
LM ID
LMPK12112659
Formula
C22H22O12
Exact Mass
Calculate m/z
478.11113
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)
RCOZJKAJHKSREE-PYLYEQSWSA-N
InChi (Click to copy)
InChI=1S/C22H22O12/c1-6-14(26)17(29)19(31)22(33-6)13-11(32-2)5-8(23)12-16(28)18(30)20(34-21(12)13)7-3-9(24)15(27)10(25)4-7/h3-6,14,17,19,22-27,29-31H,1-2H3/t6-,14-,17+,19+,22-/m0/s1
SMILES (Click to copy)
C1(OC)=C([C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C2OC(C3C=C(O)C(O)=C(O)C=3)=C(O)C(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL5FCGCS0001
PubChem CID
44259631

Calculated Physicochemical Properties

Heavy Atoms 34
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 391.38
Topological Polar Surface Area 212.58
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 2.58
Molar Refractivity 116.26

Admin

Created at
-
Updated at
23rd Dec 2021