Structure Database (LMSD)

Common Name
Luteolin 7-arabinopyranosyl-(1->6)-glucoside
Systematic Name
Synonyms
LM ID
LMPK12110655
Formula
C26H28O15
Exact Mass
Calculate m/z
580.142825
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)
QOYOSTICCWYNER-DTDZTTCYSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c27-11-2-1-9(3-12(11)28)16-6-14(30)19-13(29)4-10(5-17(19)40-16)39-26-24(36)22(34)21(33)18(41-26)8-38-25-23(35)20(32)15(31)7-37-25/h1-6,15,18,20-29,31-36H,7-8H2/t15-,18+,20-,21+,22-,23+,24+,25-,26+/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@@H](O)[C@@H](O)CO3)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACGS0020
PubChem CID
12302234

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

Admin

Created at
-
Updated at
4th Jan 2022