Structure Database (LMSD)

Common Name
Myricetin 3-alpha-L-arabinofuranoside
Systematic Name
Synonyms
LM ID
LMPK12112433
Formula
C20H18O12
Exact Mass
Calculate m/z
450.07983
Status
Curated
Show lipids differing only in stereochemistry/bond geometry
View NP-MRD ID(NMR) spectrum

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)
OXJKSVCEIOYZQL-IEGSVRCHSA-N
InChi (Click to copy)
InChI=1S/C20H18O12/c21-5-12-15(27)17(29)20(31-12)32-19-16(28)13-8(23)3-7(22)4-11(13)30-18(19)6-1-9(24)14(26)10(25)2-6/h1-4,12,15,17,20-27,29H,5H2/t12-,15-,17+,20-/m0/s1
SMILES (Click to copy)
C1(O)=CC2OC(C3C=C(O)C(O)=C(O)C=3)=C(O[C@@H]3O[C@@H](CO)[C@H](O)[C@H]3O)C(=O)C=2C(O)=C1

Other Databases

CHEBI ID
168235
METABOLOMICS ID
FL5FAGGS0001
PubChem CID
14524431

Calculated Physicochemical Properties

Heavy Atoms 32
Rings 4
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 356.78
Topological Polar Surface Area 212.58
Hydrogen Bond Donors 8
Hydrogen Bond Acceptors 12
logP 2.14
Molar Refractivity 107.28

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Updated at
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