Structure Database (LMSD)

Common Name
6-Hydroxyluteolin 7-xylosyl-(1->2)-xyloside
Systematic Name
Synonyms
LM ID
LMPK12111216
Formula
C25H26O15
Exact Mass
Calculate m/z
566.127175
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)
DBKLYDRODYBAGT-FWCIWKIHSA-N
InChi (Click to copy)
InChI=1S/C25H26O15/c26-9-2-1-8(3-10(9)27)14-4-11(28)17-15(38-14)5-16(20(33)21(17)34)39-25-23(19(32)13(30)7-37-25)40-24-22(35)18(31)12(29)6-36-24/h1-5,12-13,18-19,22-27,29-35H,6-7H2/t12-,13-,18+,19+,22-,23-,24+,25+/m1/s1
SMILES (Click to copy)
C1C=C(O)C(O)=CC=1C1=CC(=O)C2C(O)=C(O)C(O[C@H]3[C@H](O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)[C@@H](O)[C@H](O)CO3)=CC=2O1

Other Databases

METABOLOMICS ID
FL3FECGS0043
PubChem CID
59991321

Calculated Physicochemical Properties

Heavy Atoms 40
Rings 5
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 457.29
Topological Polar Surface Area 253.34
Hydrogen Bond Donors 9
Hydrogen Bond Acceptors 15
logP 2.32
Molar Refractivity 134.78

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Created at
-
Updated at
3rd Jan 2022