Structure Database (LMSD)

Systematic Name
5,7,3'-Trihydroxy-4',5'-dimethoxy-6,8-dimethylflavone
Synonyms
LM ID
LMPK12110878
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)
XUDRGVRVQBMMIB-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C19H18O7/c1-8-16(22)9(2)18-15(17(8)23)11(20)7-13(26-18)10-5-12(21)19(25-4)14(6-10)24-3/h5-7,21-23H,1-4H3
SMILES (Click to copy)
C1(O)=C(C)C2OC(C3C=C(O)C(OC)=C(OC)C=3)=CC(=O)C=2C(O)=C1C

Other Databases

METABOLOMICS ID
FL3FAKNM0001
PubChem CID
44258281

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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