Structure Database (LMSD)

Systematic Name
5,7,4'-Trihydroxy-3,3'-dimethoxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12112750
Formula
C19H18O7
Exact Mass
Calculate m/z
358.105255
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)
UTOJBBXYXTWQDE-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-8-14(21)9(2)17-13(15(8)22)16(23)19(25-4)18(26-17)10-5-6-11(20)12(7-10)24-3/h5-7,20-22H,1-4H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(OC)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL5FDDNM0004
PubChem CID
25059076

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 3
Aromatic Rings 3
Rotatable Bonds 3
Van der Waals Molecular Volume 307.89
Topological Polar Surface Area 109.36
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 7
logP 4.11
Molar Refractivity 95.60

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Updated at
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