Structure Database (LMSD)

Common Name
6,8-Di-C-arabionopyranosylluteolin
Systematic Name
Synonyms
LM ID
LMPK12110510
Formula
C25H26O14
Exact Mass
Calculate m/z
550.13226
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)
ROOCIIPDYQXZNW-LTZKYNCBSA-N
InChi (Click to copy)
InChI=1S/C25H26O14/c26-8-2-1-7(3-9(8)27)13-4-10(28)14-19(33)15(24-21(35)17(31)11(29)5-37-24)20(34)16(23(14)39-13)25-22(36)18(32)12(30)6-38-25/h1-4,11-12,17-18,21-22,24-27,29-36H,5-6H2/t11-,12-,17-,18-,21+,22+,24-,25-/m0/s1
SMILES (Click to copy)
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@@H](O)CO2)C2OC(C3C=CC(O)=C(O)C=3)=CC(=O)C=2C(O)=C1[C@H]1[C@H](O)[C@@H](O)[C@@H](O)CO1

Other Databases

METABOLOMICS ID
FL3FACCS0042
PubChem CID
44257947

Calculated Physicochemical Properties

Heavy Atoms 39
Rings 5
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 448.50
Topological Polar Surface Area 255.11
Hydrogen Bond Donors 10
Hydrogen Bond Acceptors 14
logP 1.78
Molar Refractivity 132.17

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Created at
-
Updated at
7th Jan 2022