Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 7-rhamnosyl-(1->4)-xyloside
Systematic Name
Synonyms
LM ID
LMPK12111187
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)
XGXOBNWRMOPXES-OTMBTIBOSA-N
InChi (Click to copy)
InChI=1S/C26H28O15/c1-8-18(30)22(34)24(36)26(38-8)41-16-7-37-25(23(35)20(16)32)40-15-6-14-17(21(33)19(15)31)12(29)5-13(39-14)9-2-3-10(27)11(28)4-9/h2-6,8,16,18,20,22-28,30-36H,7H2,1H3/t8-,16+,18-,20-,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]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)CO2)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1O

Other Databases

METABOLOMICS ID
FL3FECGS0014
PubChem CID
101423602

Calculated Physicochemical Properties

Heavy Atoms 41
Rings 5
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 474.59
Topological Polar Surface Area 253.34
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
logP 2.71
Molar Refractivity 139.40

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Created at
-
Updated at
7th Jan 2022