Structure Database (LMSD)

Systematic Name
3,5,7-Trihydroxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12111645
Formula
C17H14O5
Exact Mass
Calculate m/z
298.084125
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)
MHBACTLTIHEFBS-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C17H14O5/c1-8-12(18)9(2)16-11(13(8)19)14(20)15(21)17(22-16)10-6-4-3-5-7-10/h3-7,18-19,21H,1-2H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=CC=CC=3)=C(O)C(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL5FA9NM0004
PubChem CID
471723

Calculated Physicochemical Properties

Heavy Atoms 22
Rings 3
Aromatic Rings 3
Rotatable Bonds 1
Van der Waals Molecular Volume 255.71
Topological Polar Surface Area 90.90
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
logP 4.09
Molar Refractivity 82.50

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