Structure Database (LMSD)

Common Name
Luteolin 7-glucosyl(1->4)-alpha-L-arabinopyranoside
Systematic Name
Synonyms
LM ID
LMPK12110708
Formula
C26H28O15
Exact Mass
Calculate m/z
580.142825
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)
QOLDOPGYPYZHPE-YLJBJJOFSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c27-7-17-20(32)22(34)24(36)26(40-17)41-18-8-37-25(23(35)21(18)33)38-10-4-13(30)19-14(31)6-15(39-16(19)5-10)9-1-2-11(28)12(29)3-9/h1-6,17-18,20-30,32-36H,7-8H2/t17-,18+,20-,21+,22+,23-,24-,25+,26+/m1/s1
SMILES (Click to copy)
C1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)CO2)C=C2OC(C3C=CC(O)=C(O)C=3)=CC(=O)C2=C(O)C=1

Other Databases

METABOLOMICS ID
FL3FACGS0073
PubChem CID
101423612

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 6
Van der Waals Molecular Volume 474.59
Topological Polar Surface Area 253.34
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
logP 2.27
Molar Refractivity 139.63

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Created at
-
Updated at
4th Jan 2022