Structure Database (LMSD)

Common Name
Luteolin 3'-xyloside
Systematic Name
Synonyms
LM ID
LMPK12110647
Formula
C20H18O10
Exact Mass
Calculate m/z
418.09
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)
ZUMPYZVELBOZDM-RHMWYWNKSA-N
InChi (Click to copy)
InChI=1S/C20H18O10/c21-9-4-11(23)17-12(24)6-14(29-16(17)5-9)8-1-2-10(22)15(3-8)30-20-19(27)18(26)13(25)7-28-20/h1-6,13,18-23,25-27H,7H2/t13-,18+,19-,20+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)CO4)C(O)=CC=3)=CC(=O)C=2C(O)=C1

Other Databases

METABOLOMICS ID
FL3FACGS0012
PubChem CID
101675298

Calculated Physicochemical Properties

Heavy Atoms 30
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 339.20
Topological Polar Surface Area 172.12
Hydrogen Bond Donors 6
Hydrogen Bond Acceptors 10
logP 2.72
Molar Refractivity 103.95

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Created at
-
Updated at
12th Apr 2022