Structure Database (LMSD)

Common Name
Chrysin 5-xyloside
Systematic Name
Synonyms
LM ID
LMPK12110152
Formula
C20H18O8
Exact Mass
Calculate m/z
386.10017
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)
MMVMGMHYSQJGLO-RHMWYWNKSA-N
InChi (Click to copy)
InChI=1S/C20H18O8/c21-11-6-15-17(12(22)8-14(27-15)10-4-2-1-3-5-10)16(7-11)28-20-19(25)18(24)13(23)9-26-20/h1-8,13,18-21,23-25H,9H2/t13-,18+,19-,20+/m1/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=CC=CC=3)=CC(=O)C=2C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)=C1

Other Databases

METABOLOMICS ID
FL3FA9GS0007
PubChem CID
44257631

Calculated Physicochemical Properties

Heavy Atoms 28
Rings 4
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 321.62
Topological Polar Surface Area 131.66
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
logP 3.31
Molar Refractivity 100.62

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Created at
-
Updated at
12th Apr 2022