Structure Database (LMSD)

Common Name
8-C-Methyl-6-hydroxykaempferol 3,6,7-trimethyl ether
Systematic Name
Synonyms
LM ID
LMPK12112859
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
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)
AXCXIPWOLDUSPI-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-9-15-12(13(21)18(24-3)16(9)23-2)14(22)19(25-4)17(26-15)10-5-7-11(20)8-6-10/h5-8,20-21H,1-4H3
SMILES (Click to copy)
C1(OC)=C(C)C2OC(C3C=CC(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

Other Databases

METABOLOMICS ID
FL5FEANM0001
PubChem CID
44259769

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 4
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 98.36
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 7
logP 4.11
Molar Refractivity 95.75

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Updated at
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