Structure Database (LMSD)

Common Name
8-C-Rhamnopyranosylluteolin
Systematic Name
Synonyms
LM ID
LMPK12110506
Formula
C21H20O10
Exact Mass
Calculate m/z
432.10565
Status
Active
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)
MOGFMHCJWUWJLG-XCGBVFNNSA-N
InChi (Click to copy)
InChI=1S/C21H20O10/c1-7-17(27)18(28)19(29)21(30-7)16-12(25)5-11(24)15-13(26)6-14(31-20(15)16)8-2-3-9(22)10(23)4-8/h2-7,17-19,21-25,27-29H,1H3/t7-,17-,18+,19+,21-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O2)C2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACCS0038
PubChem CID
44257943

Calculated Physicochemical Properties

Heavy Atoms 31
Rings 4
Aromatic Rings 3
Rotatable Bonds 2
Van der Waals Molecular Volume 356.50
Topological Polar Surface Area 183.12
Hydrogen Bond Donors 7
Hydrogen Bond Acceptors 10
logP 2.87
Molar Refractivity 108.04

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Created at
-
Updated at
5th Jan 2022