Structure Database (LMSD)

Common Name
5-O-Methyloxyayanin-A
Systematic Name
Synonyms
LM ID
LMPK12112527
Formula
C19H18O8
Exact Mass
Calculate m/z
374.10017
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)
YXRNTXFGNDFPHS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O8/c1-23-9-5-14(25-3)16-15(6-9)27-18(19(26-4)17(16)22)10-7-12(21)13(24-2)8-11(10)20/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(OC)=CC2OC(C3C(O)=CC(OC)=C(O)C=3)=C(OC)C(=O)C=2C(OC)=C1

Other Databases

METABOLOMICS ID
FL5FALNS0012
PubChem CID
12313850

Calculated Physicochemical Properties

Heavy Atoms 27
Rings 3
Aromatic Rings 3
Rotatable Bonds 5
Van der Waals Molecular Volume 316.68
Topological Polar Surface Area 107.59
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
logP 3.81
Molar Refractivity 97.57

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Updated at
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